N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H25ClN2O5S — CID 1338540

IUPACN-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-17-4-11-21(12-5-17)33(29,30)27(22-14-20(31-2)10-13-23(22)32-3)16-24(28)26-15-18-6-8-19(25)9-7-18/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyWRNOZISMPLIACX-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.18
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1338540) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1338540
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-17-4-11-21(12-5-17)33(29,30)27(22-14-20(31-2)10-13-23(22)32-3)16-24(28)26-15-18-6-8-19(25)9-7-18/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyWRNOZISMPLIACX-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1336957
N-[(3,4-diethoxyphenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894448
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 53279863
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51344354
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 43894476
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51345504
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30215340
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92676806

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1338540) is N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is WRNOZISMPLIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-17-4-11-21(12-5-17)33(29,30)27(22-14-20(31-2)10-13-23(22)32-3)16-24(28)26-15-18-6-8-19(25)9-7-18/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 488.99 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1338540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).