2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide

C24H25ClN2O6S — CID 58941265

IUPAC2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C24H25ClN2O6S/c1-15-8-10-20(18(12-15)24(29)17-6-4-5-7-19(17)25)27(14-23(26)28)34(30,31)16-9-11-21(32-2)22(13-16)33-3/h4-13,24,29H,14H2,1-3H3,(H2,26,28)
InChIKeyOOKIGPOMEXGFKM-UHFFFAOYSA-N
MW504.99 g/mol
LogP3.43
Rot. Bonds9

About 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide

2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide (PubChem CID 58941265) has the molecular formula C24H25ClN2O6S and a molecular weight of 504.99 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
PubChem CID58941265
Molecular FormulaC24H25ClN2O6S
Molecular Weight504.99 g/mol
Exact Mass504.11
IUPAC Name2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C24H25ClN2O6S/c1-15-8-10-20(18(12-15)24(29)17-6-4-5-7-19(17)25)27(14-23(26)28)34(30,31)16-9-11-21(32-2)22(13-16)33-3/h4-13,24,29H,14H2,1-3H3,(H2,26,28)
InChIKeyOOKIGPOMEXGFKM-UHFFFAOYSA-N
XLogP3.43
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.99
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
CID 58941377
2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide
CID 58941363
2-[4-chloro-2-[(2,3-difluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]-N-ethylacetamide
CID 58941417
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
CID 50893600
N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567259
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68566152
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251683
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125060392

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
The IUPAC name of 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide (CID 58941265) is 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
The canonical SMILES for 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide is COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2C(O)c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
The InChIKey is OOKIGPOMEXGFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O6S/c1-15-8-10-20(18(12-15)24(29)17-6-4-5-7-19(17)25)27(14-23(26)28)34(30,31)16-9-11-21(32-2)22(13-16)33-3/h4-13,24,29H,14H2,1-3H3,(H2,26,28).
What are the key properties of 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide has a molecular weight of 504.99 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide is sourced from PubChem (CID 58941265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).