(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide

C18H18N2O3S — CID 95278000

IUPAC(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c19-18(23)17(14-9-5-2-6-10-14)20-16(22)12-24-11-15(21)13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H2,19,23)(H,20,22)/t17-/m0/s1
InChIKeyIDQVQRNZMNGYAY-KRWDZBQOSA-N
MW342.42 g/mol
LogP1.95
Rot. Bonds8

About (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide

(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide (PubChem CID 95278000) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
PubChem CID95278000
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c19-18(23)17(14-9-5-2-6-10-14)20-16(22)12-24-11-15(21)13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H2,19,23)(H,20,22)/t17-/m0/s1
InChIKeyIDQVQRNZMNGYAY-KRWDZBQOSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278001
(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 119368058
(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
CID 42377293
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424
2-[[2-(carboxymethylsulfanyl)acetyl]amino]-2-phenylacetic acid
CID 104569833
(2R)-3-methyl-2-[(2-phenacylsulfanylacetyl)amino]butanoic acid
CID 119369606
2-[(2-oxo-2-phenylacetyl)amino]-2-phenylacetamide
CID 13258038
N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide
CID 119613813
2-amino-3-phenacylsulfanylpropanamide;hydrochloride
CID 68821201
2-[(2-nitrosoacetyl)amino]-2-phenylacetamide
CID 143353475
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide (CID 95278000) is (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide is NC(=O)[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide?
The InChIKey is IDQVQRNZMNGYAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O3S/c19-18(23)17(14-9-5-2-6-10-14)20-16(22)12-24-11-15(21)13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H2,19,23)(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide?
(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide has a molecular weight of 342.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 95278000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).