(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C16H16F2N2O3S — CID 125054387

IUPAC(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN([C@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-20(24(2,22)23)15(11-6-4-3-5-7-11)16(21)19-12-8-9-13(17)14(18)10-12/h3-10,15H,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyUBNUABIXAIFXDO-HNNXBMFYSA-N
MW354.38 g/mol
LogP2.54
Rot. Bonds5

About (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 125054387) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID125054387
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN([C@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-20(24(2,22)23)15(11-6-4-3-5-7-11)16(21)19-12-8-9-13(17)14(18)10-12/h3-10,15H,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyUBNUABIXAIFXDO-HNNXBMFYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-(5-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133228030
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
N-(3-ethoxyphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184977
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 100536138

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 125054387) is (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN([C@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is UBNUABIXAIFXDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-20(24(2,22)23)15(11-6-4-3-5-7-11)16(21)19-12-8-9-13(17)14(18)10-12/h3-10,15H,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 354.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 125054387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).