N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide

C133H128Cl2N22O15S2 — CID 167599837

IUPACN-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide
SMILESCC(C)CCOc1ccc2nn(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3O)nc2c1.CCCCC(CC)CSc1ccc2nn(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3O)nc2c1.CCN(CC)c1ccc2nn(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3O)nc2c1.CCc1ccc2nn(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3O)nc2c1.O=C(Nc1ccc(-n2nc3ccc(SCc4ccccc4)cc3n2)c(O)c1)c1ccc([N+](=O)[O-])cc1.O=C=O
InChIInChI=1S/C31H32N4O2S.C28H32N4O3.C26H19N5O4S.C24H24N4O2.C23H21Cl2N5O2.CO2/c1-3-5-8-21(4-2)20-38-26-14-15-27-28(19-26)34-35(33-27)29-16-13-25(18-30(29)36)32-31(37)24-12-11-22-9-6-7-10-23(22)17-24;1-18(2)14-15-35-22-11-12-23-24(17-22)31-32(30-23)25-13-10-21(16-26(25)33)29-27(34)19-6-8-20(9-7-19)28(3,4)5;32-25-14-19(27-26(33)18-6-9-20(10-7-18)31(34)35)8-13-24(25)30-28-22-12-11-21(15-23(22)29-30)36-16-17-4-2-1-3-5-17;1-4-16-5-11-20-21(13-16)27-28(26-20)22-12-10-19(14-23(22)29)25-24(30)18-8-6-17(7-9-18)15(2)3;1-3-29(4-2)16-7-9-19-20(13-16)28-30(27-19)21-10-6-15(12-22(21)31)26-23(32)17-8-5-14(24)11-18(17)25;2-1-3/h6-7,9-19,21,36H,3-5,8,20H2,1-2H3,(H,32,37);6-13,16-18,33H,14-15H2,1-5H3,(H,29,34);1-15,32H,16H2,(H,27,33);5-15,29H,4H2,1-3H3,(H,25,30);5-13,31H,3-4H2,1-2H3,(H,26,32);
InChIKeyJOMVHVYTCMZQLW-UHFFFAOYSA-N
MW2409.67 g/mol
LogP29.53
Rot. Bonds35

About N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide

N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide (PubChem CID 167599837) has the molecular formula C133H128Cl2N22O15S2 and a molecular weight of 2409.67 g/mol. Its IUPAC name is N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide
PubChem CID167599837
Molecular FormulaC133H128Cl2N22O15S2
Molecular Weight2409.67 g/mol
Exact Mass2406.87
IUPAC NameN-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide
SMILESCC(C)CCOc1ccc2nn(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3O)nc2c1.CCCCC(CC)CSc1ccc2nn(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3O)nc2c1.CCN(CC)c1ccc2nn(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3O)nc2c1.CCc1ccc2nn(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3O)nc2c1.O=C(Nc1ccc(-n2nc3ccc(SCc4ccccc4)cc3n2)c(O)c1)c1ccc([N+](=O)[O-])cc1.O=C=O
InChIInChI=1S/C31H32N4O2S.C28H32N4O3.C26H19N5O4S.C24H24N4O2.C23H21Cl2N5O2.CO2/c1-3-5-8-21(4-2)20-38-26-14-15-27-28(19-26)34-35(33-27)29-16-13-25(18-30(29)36)32-31(37)24-12-11-22-9-6-7-10-23(22)17-24;1-18(2)14-15-35-22-11-12-23-24(17-22)31-32(30-23)25-13-10-21(16-26(25)33)29-27(34)19-6-8-20(9-7-19)28(3,4)5;32-25-14-19(27-26(33)18-6-9-20(10-7-18)31(34)35)8-13-24(25)30-28-22-12-11-21(15-23(22)29-30)36-16-17-4-2-1-3-5-17;1-4-16-5-11-20-21(13-16)27-28(26-20)22-12-10-19(14-23(22)29)25-24(30)18-8-6-17(7-9-18)15(2)3;1-3-29(4-2)16-7-9-19-20(13-16)28-30(27-19)21-10-6-15(12-22(21)31)26-23(32)17-8-5-14(24)11-18(17)25;2-1-3/h6-7,9-19,21,36H,3-5,8,20H2,1-2H3,(H,32,37);6-13,16-18,33H,14-15H2,1-5H3,(H,29,34);1-15,32H,16H2,(H,27,33);5-15,29H,4H2,1-3H3,(H,25,30);5-13,31H,3-4H2,1-2H3,(H,26,32);
InChIKeyJOMVHVYTCMZQLW-UHFFFAOYSA-N
XLogP29.53
TPSA489.95 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.67
LogP ≤ 529.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide with MolForge

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Related Compounds

N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
N-(6-butoxy-1,3-benzothiazol-2-yl)-2-chloro-4-nitrobenzamide
CID 19211081
N-[4-(5-chlorobenzotriazol-2-yl)phenyl]-4-nitrobenzamide
CID 134159674
N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide
CID 166031560
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
2-chloro-N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-4-nitrobenzamide
CID 30898786
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide (CID 167599837) is N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide is CC(C)CCOc1ccc2nn(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3O)nc2c1.CCCCC(CC)CSc1ccc2nn(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3O)nc2c1.CCN(CC)c1ccc2nn(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3O)nc2c1.CCc1ccc2nn(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3O)nc2c1.O=C(Nc1ccc(-n2nc3ccc(SCc4ccccc4)cc3n2)c(O)c1)c1ccc([N+](=O)[O-])cc1.O=C=O.
What is the InChIKey of N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide?
The InChIKey is JOMVHVYTCMZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2S.C28H32N4O3.C26H19N5O4S.C24H24N4O2.C23H21Cl2N5O2.CO2/c1-3-5-8-21(4-2)20-38-26-14-15-27-28(19-26)34-35(33-27)29-16-13-25(18-30(29)36)32-31(37)24-12-11-22-9-6-7-10-23(22)17-24;1-18(2)14-15-35-22-11-12-23-24(17-22)31-32(30-23)25-13-10-21(16-26(25)33)29-27(34)19-6-8-20(9-7-19)28(3,4)5;32-25-14-19(27-26(33)18-6-9-20(10-7-18)31(34)35)8-13-24(25)30-28-22-12-11-21(15-23(22)29-30)36-16-17-4-2-1-3-5-17;1-4-16-5-11-20-21(13-16)27-28(26-20)22-12-10-19(14-23(22)29)25-24(30)18-8-6-17(7-9-18)15(2)3;1-3-29(4-2)16-7-9-19-20(13-16)28-30(27-19)21-10-6-15(12-22(21)31)26-23(32)17-8-5-14(24)11-18(17)25;2-1-3/h6-7,9-19,21,36H,3-5,8,20H2,1-2H3,(H,32,37);6-13,16-18,33H,14-15H2,1-5H3,(H,29,34);1-15,32H,16H2,(H,27,33);5-15,29H,4H2,1-3H3,(H,25,30);5-13,31H,3-4H2,1-2H3,(H,26,32);.
What are the key properties of N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide?
N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide has a molecular weight of 2409.67 g/mol, XLogP of 29.53, 35 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzylsulfanylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide;4-tert-butyl-N-[3-hydroxy-4-[5-(3-methylbutoxy)benzotriazol-2-yl]phenyl]benzamide;carbon dioxide;2,4-dichloro-N-[4-[5-(diethylamino)benzotriazol-2-yl]-3-hydroxyphenyl]benzamide;N-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxyphenyl]-4-propan-2-ylbenzamide;N-[4-[5-(2-ethylhexylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 167599837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).