2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

C20H25N3O4S — CID 43022013

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15(17-8-6-5-7-9-17)23(4)20(25)14-22(3)28(26,27)19-12-10-18(11-13-19)21-16(2)24/h5-13,15H,14H2,1-4H3,(H,21,24)
InChIKeyXPYTUBWNFWVKRH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.49
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 43022013) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID43022013
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15(17-8-6-5-7-9-17)23(4)20(25)14-22(3)28(26,27)19-12-10-18(11-13-19)21-16(2)24/h5-13,15H,14H2,1-4H3,(H,21,24)
InChIKeyXPYTUBWNFWVKRH-UHFFFAOYSA-N
XLogP2.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9368344
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
CID 119660507
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)butanamide
CID 51188184
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9482978
N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46591314
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 26873311
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 55917329

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (CID 43022013) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is XPYTUBWNFWVKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15(17-8-6-5-7-9-17)23(4)20(25)14-22(3)28(26,27)19-12-10-18(11-13-19)21-16(2)24/h5-13,15H,14H2,1-4H3,(H,21,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.49, 7 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-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43022013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).