5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate

C103H101Cl3N14O18S3 — CID 91445778

IUPAC5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate
SMILESCCCCCc1cc(C)ccc1OCC(=O)Nc1cc(O)c(C)cc1Oc1cc(C)c(Sc2nnc(SC(C)C(=O)OC)s2)c(O)c1O.CCCOc1ccc(C)cc1C.COc1ccccc1NC(=O)c1ccc2c(N(C)C(C)=O)cccc2c1O.Cc1ccc(/N=N/C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc(NC=O)c2)cc1.O=C(Oc1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C34H39N3O8S3.C24H17Cl3N6O3.C21H20N2O4.C13H9N3O2.C11H16O/c1-7-8-9-10-22-13-18(2)11-12-25(22)44-17-28(39)35-23-16-24(38)19(3)14-26(23)45-27-15-20(4)31(30(41)29(27)40)47-34-37-36-33(48-34)46-21(5)32(42)43-6;1-13-5-7-16(8-6-13)30-31-20-22(29-23(35)14-3-2-4-17(9-14)28-12-34)32-33(24(20)36)21-18(26)10-15(25)11-19(21)27;1-13(24)23(2)18-9-6-7-15-14(18)11-12-16(20(15)25)21(26)22-17-8-4-5-10-19(17)27-3;17-13(18-10-4-2-1-3-5-10)9-6-7-11-12(8-9)15-16-14-11;1-4-7-12-11-6-5-9(2)8-10(11)3/h11-16,21,38,40-41H,7-10,17H2,1-6H3,(H,35,39);2-12,20H,1H3,(H,28,34)(H,29,32,35);4-12,25H,1-3H3,(H,22,26);1-8H,(H,14,15,16);5-6,8H,4,7H2,1-3H3/b;31-30+;;;
InChIKeyXAKDEFUXJWUHNV-CRQBMQJYSA-N
MW2025.58 g/mol
LogP22.75
Rot. Bonds30

About 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate

5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate (PubChem CID 91445778) has the molecular formula C103H101Cl3N14O18S3 and a molecular weight of 2025.58 g/mol. Its IUPAC name is 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate.

Molecular Properties

Compound Name5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate
PubChem CID91445778
Molecular FormulaC103H101Cl3N14O18S3
Molecular Weight2025.58 g/mol
Exact Mass2022.56
IUPAC Name5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate
SMILESCCCCCc1cc(C)ccc1OCC(=O)Nc1cc(O)c(C)cc1Oc1cc(C)c(Sc2nnc(SC(C)C(=O)OC)s2)c(O)c1O.CCCOc1ccc(C)cc1C.COc1ccccc1NC(=O)c1ccc2c(N(C)C(C)=O)cccc2c1O.Cc1ccc(/N=N/C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc(NC=O)c2)cc1.O=C(Oc1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C34H39N3O8S3.C24H17Cl3N6O3.C21H20N2O4.C13H9N3O2.C11H16O/c1-7-8-9-10-22-13-18(2)11-12-25(22)44-17-28(39)35-23-16-24(38)19(3)14-26(23)45-27-15-20(4)31(30(41)29(27)40)47-34-37-36-33(48-34)46-21(5)32(42)43-6;1-13-5-7-16(8-6-13)30-31-20-22(29-23(35)14-3-2-4-17(9-14)28-12-34)32-33(24(20)36)21-18(26)10-15(25)11-19(21)27;1-13(24)23(2)18-9-6-7-15-14(18)11-12-16(20(15)25)21(26)22-17-8-4-5-10-19(17)27-3;17-13(18-10-4-2-1-3-5-10)9-6-7-11-12(8-9)15-16-14-11;1-4-7-12-11-6-5-9(2)8-10(11)3/h11-16,21,38,40-41H,7-10,17H2,1-6H3,(H,35,39);2-12,20H,1H3,(H,28,34)(H,29,32,35);4-12,25H,1-3H3,(H,22,26);1-8H,(H,14,15,16);5-6,8H,4,7H2,1-3H3/b;31-30+;;;
InChIKeyXAKDEFUXJWUHNV-CRQBMQJYSA-N
XLogP22.75
TPSA431.89 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002025.58
LogP ≤ 522.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate with MolForge

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Related Compounds

1-chloro-4-methylbenzene;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;ethane;2-[N-ethyl-3-methyl-4-(methylideneamino)anilino]ethanol
CID 54240096
3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;2,5-dimethylbenzene-1,4-diol;N-(2,5-dimethylphenyl)-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]imino-1-oxonaphthalene-2-carboxamide
CID 90848778
N-(4-acetamidophenyl)-5-[acetyl(methyl)amino]-1-hydroxynaphthalene-2-carboxamide;dodecyl 4-[4-[7-[2-(N-acetylanilino)ethyl]-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]anilino]-4-oxobutanoate;dodecyl 4-[4-[6-[[5-(1,3-benzothiazol-2-ylsulfanyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxycarbonyl-methylamino]-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]anilino]-4-oxobutanoate;bis(phenyl 2H-benzotriazole-5-carboxylate);propyl 2-[5-[[3-methyl-4-[methyl-[3-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]carbamoyl]oxyphenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]acetate
CID 91051666
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[4-[ethyl(methyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;3-[3-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid
CID 56617079
ethyl N-[6-(diethylamino)-2-methyl-3-pyridinyl]-N-[3-[[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoyl]amino]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]carbamate
CID 21059157
3-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxopropyl]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
CID 59819265
4-[2-[acetyl(methyl)amino]phenoxy]-N-(2-dodecoxy-5-methylphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 22947457
4-[2-[acetyl(methyl)amino]-4-methylphenoxy]-N-(2-dodecoxy-5-methylphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 22947450
N-dodecyl-N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]benzotriazole-2-carboxamide
CID 20732959
2-(2,4-dimethylphenoxy)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide
CID 22967776
4-[2-[acetyl(methyl)amino]-4-nitrophenoxy]-1-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;5,6-dipropoxy-2,3-dihydro-1H-benzotriazole;S-(1-phenyltetrazol-5-yl) N-[2-[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxy-5-nitrophenyl]-N-methylcarbamothioate
CID 91523631
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate?
The IUPAC name of 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate (CID 91445778) is 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate.
What is the SMILES notation for 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate?
The canonical SMILES for 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate is CCCCCc1cc(C)ccc1OCC(=O)Nc1cc(O)c(C)cc1Oc1cc(C)c(Sc2nnc(SC(C)C(=O)OC)s2)c(O)c1O.CCCOc1ccc(C)cc1C.COc1ccccc1NC(=O)c1ccc2c(N(C)C(C)=O)cccc2c1O.Cc1ccc(/N=N/C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc(NC=O)c2)cc1.O=C(Oc1ccccc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate?
The InChIKey is XAKDEFUXJWUHNV-CRQBMQJYSA-N. The full InChI is InChI=1S/C34H39N3O8S3.C24H17Cl3N6O3.C21H20N2O4.C13H9N3O2.C11H16O/c1-7-8-9-10-22-13-18(2)11-12-25(22)44-17-28(39)35-23-16-24(38)19(3)14-26(23)45-27-15-20(4)31(30(41)29(27)40)47-34-37-36-33(48-34)46-21(5)32(42)43-6;1-13-5-7-16(8-6-13)30-31-20-22(29-23(35)14-3-2-4-17(9-14)28-12-34)32-33(24(20)36)21-18(26)10-15(25)11-19(21)27;1-13(24)23(2)18-9-6-7-15-14(18)11-12-16(20(15)25)21(26)22-17-8-4-5-10-19(17)27-3;17-13(18-10-4-2-1-3-5-10)9-6-7-11-12(8-9)15-16-14-11;1-4-7-12-11-6-5-9(2)8-10(11)3/h11-16,21,38,40-41H,7-10,17H2,1-6H3,(H,35,39);2-12,20H,1H3,(H,28,34)(H,29,32,35);4-12,25H,1-3H3,(H,22,26);1-8H,(H,14,15,16);5-6,8H,4,7H2,1-3H3/b;31-30+;;;.
What are the key properties of 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate?
5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate has a molecular weight of 2025.58 g/mol, XLogP of 22.75, 30 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(methyl)amino]-1-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide;2,4-dimethyl-1-propoxybenzene;3-formamido-N-[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;methyl 2-[[5-[2,3-dihydroxy-4-[4-hydroxy-5-methyl-2-[[2-(4-methyl-2-pentylphenoxy)acetyl]amino]phenoxy]-6-methylphenyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate;phenyl 2H-benzotriazole-5-carboxylate is sourced from PubChem (CID 91445778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).