2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide

C20H25N3O4S — CID 4885065

IUPAC2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-13-23(14-20(25)22-19-8-6-5-7-15(19)2)28(26,27)18-11-9-17(10-12-18)21-16(3)24/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyTYVJXAJSXJULQB-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.99
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide

2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 4885065) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID4885065
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-13-23(14-20(25)22-19-8-6-5-7-15(19)2)28(26,27)18-11-9-17(10-12-18)21-16(3)24/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyTYVJXAJSXJULQB-UHFFFAOYSA-N
XLogP2.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678173
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(propyl)amino]-N-(2-methylphenyl)acetamide
CID 55352496
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate
CID 55352515

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide (CID 4885065) is 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is TYVJXAJSXJULQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-13-23(14-20(25)22-19-8-6-5-7-15(19)2)28(26,27)18-11-9-17(10-12-18)21-16(3)24/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 4885065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).