2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide

C20H25N3O4S — CID 55917959

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25N3O4S/c1-14-6-7-15(2)19(12-14)23(5)20(25)13-22(4)28(26,27)18-10-8-17(9-11-18)21-16(3)24/h6-12H,13H2,1-5H3,(H,21,24)
InChIKeyYSMVGJWZDCUGFB-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.55
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide (PubChem CID 55917959) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide
PubChem CID55917959
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25N3O4S/c1-14-6-7-15(2)19(12-14)23(5)20(25)13-22(4)28(26,27)18-10-8-17(9-11-18)21-16(3)24/h6-12H,13H2,1-5H3,(H,21,24)
InChIKeyYSMVGJWZDCUGFB-UHFFFAOYSA-N
XLogP2.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 55917329
N-[4-[(2,5-dimethylphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 94622687
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9368344
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365795
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9296718

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide (CID 55917959) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide?
The InChIKey is YSMVGJWZDCUGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-6-7-15(2)19(12-14)23(5)20(25)13-22(4)28(26,27)18-10-8-17(9-11-18)21-16(3)24/h6-12H,13H2,1-5H3,(H,21,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide has a molecular weight of 403.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 55917959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).