N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide

C24H25N3O5S — CID 1210617

IUPACN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O5S/c1-17-9-14-23(32-3)22(15-17)27(33(30,31)21-7-5-4-6-8-21)16-24(29)26-20-12-10-19(11-13-20)25-18(2)28/h4-15H,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBHAMGWPTZZODPV-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.80
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide (PubChem CID 1210617) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
PubChem CID1210617
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O5S/c1-17-9-14-23(32-3)22(15-17)27(33(30,31)21-7-5-4-6-8-21)16-24(29)26-20-12-10-19(11-13-20)25-18(2)28/h4-15H,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBHAMGWPTZZODPV-UHFFFAOYSA-N
XLogP3.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916157
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21371919
N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21372673
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 126129112
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 92644319
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide (CID 1210617) is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide?
The InChIKey is BHAMGWPTZZODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17-9-14-23(32-3)22(15-17)27(33(30,31)21-7-5-4-6-8-21)16-24(29)26-20-12-10-19(11-13-20)25-18(2)28/h4-15H,16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide?
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide is sourced from PubChem (CID 1210617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).