2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide

C18H21ClN2O3S — CID 26085188

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13-6-4-5-7-17(13)14(2)20-18(22)12-21(3)25(23,24)16-10-8-15(19)9-11-16/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyLINIDMDVEFCMBQ-AWEZNQCLSA-N
MW380.90 g/mol
LogP3.15
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide (PubChem CID 26085188) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
PubChem CID26085188
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13-6-4-5-7-17(13)14(2)20-18(22)12-21(3)25(23,24)16-10-8-15(19)9-11-16/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyLINIDMDVEFCMBQ-AWEZNQCLSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 132660114
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217368
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30251011
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 17492980
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544990
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401362

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide (CID 26085188) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is LINIDMDVEFCMBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-6-4-5-7-17(13)14(2)20-18(22)12-21(3)25(23,24)16-10-8-15(19)9-11-16/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 380.90 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 26085188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).