(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide

C16H18N2O3S — CID 41332371

IUPAC(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c1-11-8-9-12(2)14(10-11)22(20,21)18-15(16(17)19)13-6-4-3-5-7-13/h3-10,15,18H,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyYFUGOSYWTLCUSG-HNNXBMFYSA-N
MW318.40 g/mol
LogP1.81
Rot. Bonds5

About (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide

(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide (PubChem CID 41332371) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide
PubChem CID41332371
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c1-11-8-9-12(2)14(10-11)22(20,21)18-15(16(17)19)13-6-4-3-5-7-13/h3-10,15,18H,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyYFUGOSYWTLCUSG-HNNXBMFYSA-N
XLogP1.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide
CID 35644810
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110286675
(2R)-4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828841
4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084160
(2S,3R)-2-[(2,5-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 14100896
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
CID 86854819
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-2-phenylacetamide
CID 94579625
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide (CID 41332371) is (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide is Cc1ccc(C)c(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide?
The InChIKey is YFUGOSYWTLCUSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-8-9-12(2)14(10-11)22(20,21)18-15(16(17)19)13-6-4-3-5-7-13/h3-10,15,18H,1-2H3,(H2,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide?
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide has a molecular weight of 318.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 41332371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).