(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide

C18H20N2O4S — CID 10689874

IUPAC(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide
SMILESCS(=O)(=O)N[C@@H](C(=O)N[C@H](C=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-25(23,24)20-17(15-10-6-3-7-11-15)18(22)19-16(13-21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyDBOUZIXPCHDOCR-DLBZAZTESA-N
MW360.44 g/mol
LogP1.20
Rot. Bonds8

About (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide

(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide (PubChem CID 10689874) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide
PubChem CID10689874
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide
SMILESCS(=O)(=O)N[C@@H](C(=O)N[C@H](C=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-25(23,24)20-17(15-10-6-3-7-11-15)18(22)19-16(13-21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyDBOUZIXPCHDOCR-DLBZAZTESA-N
XLogP1.20
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-2-phenylacetamide
CID 10713679
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
CID 18607776
(2S)-2-[2-(methanesulfonamido)propanoylamino]-2-phenylacetic acid
CID 119372607
2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522393
1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide
CID 86756608
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 18658342
(2S)-2-amino-4-methylsulfanyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 173062166
sodium;hydride;2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522392
(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide (CID 10689874) is (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide is CS(=O)(=O)N[C@@H](C(=O)N[C@H](C=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide?
The InChIKey is DBOUZIXPCHDOCR-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(23,24)20-17(15-10-6-3-7-11-15)18(22)19-16(13-21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,19,22)/t16-,17+/m0/s1.
What are the key properties of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide?
(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide has a molecular weight of 360.44 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 10689874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).