(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C16H17ClN2O3S — CID 125060901

IUPAC(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN([C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-19(23(2,21)22)15(12-6-4-3-5-7-12)16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyXEXJHHXNPADVGN-HNNXBMFYSA-N
MW352.84 g/mol
LogP2.91
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 125060901) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID125060901
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN([C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-19(23(2,21)22)15(12-6-4-3-5-7-12)16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyXEXJHHXNPADVGN-HNNXBMFYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
N-(5-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133228030
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133201572
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(2-phenylphenyl)acetamide
CID 125058384

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 125060901) is (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN([C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is XEXJHHXNPADVGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-19(23(2,21)22)15(12-6-4-3-5-7-12)16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 352.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 125060901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).