N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride

C74H79Cl5N8O17S4 — CID 157206496

IUPACN-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride
SMILESCCC(C(=O)Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc(O)c(N)cc1Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc(O)c(NC(C)=O)cc1Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc2oc(C)nc2cc1Cl)S(=O)(=O)c1ccc(C)cc1.Cc1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C19H21ClN2O5S.C19H19ClN2O4S.C17H19ClN2O4S.C11H13ClO3S.C8H7ClN2O/c1-4-18(28(26,27)13-7-5-11(2)6-8-13)19(25)22-15-10-17(24)16(9-14(15)20)21-12(3)23;1-4-18(27(24,25)13-7-5-11(2)6-8-13)19(23)22-15-10-17-16(9-14(15)20)21-12(3)26-17;1-3-16(25(23,24)11-6-4-10(2)5-7-11)17(22)20-14-9-15(21)13(19)8-12(14)18;1-3-10(11(12)13)16(14,15)9-6-4-8(2)5-7-9;1-4-11-7-2-5(9)6(10)3-8(7)12-4/h5-10,18,24H,4H2,1-3H3,(H,21,23)(H,22,25);5-10,18H,4H2,1-3H3,(H,22,23);4-9,16,21H,3,19H2,1-2H3,(H,20,22);4-7,10H,3H2,1-2H3;2-3H,10H2,1H3
InChIKeyARKLVCJQHZGWED-UHFFFAOYSA-N
MW1658.02 g/mol
LogP15.60
Rot. Bonds20

About N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride

N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride (PubChem CID 157206496) has the molecular formula C74H79Cl5N8O17S4 and a molecular weight of 1658.02 g/mol. Its IUPAC name is N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride.

Molecular Properties

Compound NameN-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride
PubChem CID157206496
Molecular FormulaC74H79Cl5N8O17S4
Molecular Weight1658.02 g/mol
Exact Mass1654.29
IUPAC NameN-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride
SMILESCCC(C(=O)Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc(O)c(N)cc1Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc(O)c(NC(C)=O)cc1Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc2oc(C)nc2cc1Cl)S(=O)(=O)c1ccc(C)cc1.Cc1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C19H21ClN2O5S.C19H19ClN2O4S.C17H19ClN2O4S.C11H13ClO3S.C8H7ClN2O/c1-4-18(28(26,27)13-7-5-11(2)6-8-13)19(25)22-15-10-17(24)16(9-14(15)20)21-12(3)23;1-4-18(27(24,25)13-7-5-11(2)6-8-13)19(23)22-15-10-17-16(9-14(15)20)21-12(3)26-17;1-3-16(25(23,24)11-6-4-10(2)5-7-11)17(22)20-14-9-15(21)13(19)8-12(14)18;1-3-10(11(12)13)16(14,15)9-6-4-8(2)5-7-9;1-4-11-7-2-5(9)6(10)3-8(7)12-4/h5-10,18,24H,4H2,1-3H3,(H,21,23)(H,22,25);5-10,18H,4H2,1-3H3,(H,22,23);4-9,16,21H,3,19H2,1-2H3,(H,20,22);4-7,10H,3H2,1-2H3;2-3H,10H2,1H3
InChIKeyARKLVCJQHZGWED-UHFFFAOYSA-N
XLogP15.60
TPSA414.59 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001658.02
LogP ≤ 515.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide
CID 20618154
N-[2-chloro-5-hydroxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(4-methylphenyl)sulfonylbutanamide
CID 20618135
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide
CID 22964937
N-[2-chloro-4-(2-hydrazinylidenepropanoylamino)-5-hydroxyphenyl]-2-(4-chlorophenyl)sulfonylbutanamide
CID 59062155
2-acetamido-N-[4-[2-[3,4-bis(methylsulfanyl)phenyl]sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 22979704
N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-2-chloro-4-methylbenzamide
CID 59950451
5-chloro-N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide
CID 59941862
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 59941888
N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,4-dimethylphenyl)sulfonylpropanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
CID 90889339
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-hydroxybenzamide
CID 59950442
2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide
CID 18740299
3-chloro-N-[5-chloro-2-hydroxy-4-[2-(2-methylpyrimidin-5-yl)sulfonylbutanoylamino]phenyl]-4-fluorobenzamide
CID 59935585

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride?
The IUPAC name of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride (CID 157206496) is N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride.
What is the SMILES notation for N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride?
The canonical SMILES for N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride is CCC(C(=O)Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc(O)c(N)cc1Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc(O)c(NC(C)=O)cc1Cl)S(=O)(=O)c1ccc(C)cc1.CCC(C(=O)Nc1cc2oc(C)nc2cc1Cl)S(=O)(=O)c1ccc(C)cc1.Cc1nc2cc(Cl)c(N)cc2o1.
What is the InChIKey of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride?
The InChIKey is ARKLVCJQHZGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S.C19H19ClN2O4S.C17H19ClN2O4S.C11H13ClO3S.C8H7ClN2O/c1-4-18(28(26,27)13-7-5-11(2)6-8-13)19(25)22-15-10-17(24)16(9-14(15)20)21-12(3)23;1-4-18(27(24,25)13-7-5-11(2)6-8-13)19(23)22-15-10-17-16(9-14(15)20)21-12(3)26-17;1-3-16(25(23,24)11-6-4-10(2)5-7-11)17(22)20-14-9-15(21)13(19)8-12(14)18;1-3-10(11(12)13)16(14,15)9-6-4-8(2)5-7-9;1-4-11-7-2-5(9)6(10)3-8(7)12-4/h5-10,18,24H,4H2,1-3H3,(H,21,23)(H,22,25);5-10,18H,4H2,1-3H3,(H,22,23);4-9,16,21H,3,19H2,1-2H3,(H,20,22);4-7,10H,3H2,1-2H3;2-3H,10H2,1H3.
What are the key properties of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride?
N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride has a molecular weight of 1658.02 g/mol, XLogP of 15.60, 20 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride is sourced from PubChem (CID 157206496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).