4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide

C20H24N2O4S — CID 40695620

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16(23)18-10-12-19(13-11-18)27(25,26)22(2)14-6-9-20(24)21-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,21,24)
InChIKeyLKSPRWWECAZLAL-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.61
Rot. Bonds9

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide (PubChem CID 40695620) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
PubChem CID40695620
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16(23)18-10-12-19(13-11-18)27(25,26)22(2)14-6-9-20(24)21-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,21,24)
InChIKeyLKSPRWWECAZLAL-UHFFFAOYSA-N
XLogP2.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
CID 18206824
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
CID 18111301
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide
CID 18228839
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide (CID 40695620) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide?
The InChIKey is LKSPRWWECAZLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16(23)18-10-12-19(13-11-18)27(25,26)22(2)14-6-9-20(24)21-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide has a molecular weight of 388.49 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide is sourced from PubChem (CID 40695620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).