N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide

C21H25ClN2O3S — CID 75854502

IUPACN-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16(18-8-9-18)24(14-17-6-4-3-5-7-17)21(25)15-23(2)28(26,27)20-12-10-19(22)11-13-20/h3-7,10-13,16,18H,8-9,14-15H2,1-2H3
InChIKeyJONZXAKHKPQEPF-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.79
Rot. Bonds8

About N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide

N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide (PubChem CID 75854502) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide
PubChem CID75854502
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16(18-8-9-18)24(14-17-6-4-3-5-7-17)21(25)15-23(2)28(26,27)20-12-10-19(22)11-13-20/h3-7,10-13,16,18H,8-9,14-15H2,1-2H3
InChIKeyJONZXAKHKPQEPF-UHFFFAOYSA-N
XLogP3.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
(2S)-2-[benzyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-N-propan-2-ylbutanamide
CID 100733124
2-[(4-chlorophenyl)methyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172167
(2S)-2-[(4-chlorophenyl)methyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100505862
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
2-[benzyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-N-butylbutanamide
CID 132945615
(2S)-2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100621229
(2R)-N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-phenylpropanamide
CID 125089533
2-[(4-chlorophenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132623349
2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132620648
2-[(4-bromophenyl)methyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257894
2-[(4-chlorophenyl)methyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclohexylbutanamide
CID 132627602

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide (CID 75854502) is N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide?
The InChIKey is JONZXAKHKPQEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-16(18-8-9-18)24(14-17-6-4-3-5-7-17)21(25)15-23(2)28(26,27)20-12-10-19(22)11-13-20/h3-7,10-13,16,18H,8-9,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide?
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide has a molecular weight of 420.96 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 75854502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).