4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide

C21H25ClN2O4S — CID 18112539

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-16(25)18-9-11-20(12-10-18)29(27,28)24(3)13-5-8-21(26)23(2)15-17-6-4-7-19(22)14-17/h4,6-7,9-12,14H,5,8,13,15H2,1-3H3
InChIKeyRTLCWFFDYJBQFD-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.60
Rot. Bonds9

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide (PubChem CID 18112539) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
PubChem CID18112539
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-16(25)18-9-11-20(12-10-18)29(27,28)24(3)13-5-8-21(26)23(2)15-17-6-4-7-19(22)14-17/h4,6-7,9-12,14H,5,8,13,15H2,1-3H3
InChIKeyRTLCWFFDYJBQFD-UHFFFAOYSA-N
XLogP3.60
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 24504644
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 17482618
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
4-[benzenesulfonyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]butanamide
CID 133174629
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 18083392

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide (CID 18112539) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide?
The InChIKey is RTLCWFFDYJBQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-16(25)18-9-11-20(12-10-18)29(27,28)24(3)13-5-8-21(26)23(2)15-17-6-4-7-19(22)14-17/h4,6-7,9-12,14H,5,8,13,15H2,1-3H3.
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide has a molecular weight of 436.96 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 18112539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).