2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide

C17H18N2O3S — CID 94806128

IUPAC2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-15(13-7-3-1-4-8-13)11-23-12-16(21)19-17(22)18-14-9-5-2-6-10-14/h1-10,15,20H,11-12H2,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyXGKSPNDISNUIRY-OAHLLOKOSA-N
MW330.41 g/mol
LogP2.80
Rot. Bonds6

About 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide

2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide (PubChem CID 94806128) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
PubChem CID94806128
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-15(13-7-3-1-4-8-13)11-23-12-16(21)19-17(22)18-14-9-5-2-6-10-14/h1-10,15,20H,11-12H2,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyXGKSPNDISNUIRY-OAHLLOKOSA-N
XLogP2.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
CID 47443078
N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94813876
N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94209967
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
CID 12840972
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 52769842
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide
CID 55443480
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide (CID 94806128) is 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide is O=C(CSC[C@@H](O)c1ccccc1)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide?
The InChIKey is XGKSPNDISNUIRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-15(13-7-3-1-4-8-13)11-23-12-16(21)19-17(22)18-14-9-5-2-6-10-14/h1-10,15,20H,11-12H2,(H2,18,19,21,22)/t15-/m1/s1.
What are the key properties of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide?
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 94806128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).