N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide

C17H24N2O3S — CID 94813876

IUPACN-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3S/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/h1,3-4,7-8,14-15,20H,2,5-6,9-12H2,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyQXHOMAHSDITJAL-OAHLLOKOSA-N
MW336.46 g/mol
LogP2.61
Rot. Bonds6

About N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide

N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide (PubChem CID 94813876) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
PubChem CID94813876
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3S/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/h1,3-4,7-8,14-15,20H,2,5-6,9-12H2,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyQXHOMAHSDITJAL-OAHLLOKOSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 94806128
N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
CID 47443078
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43241360
N-(cyclohexylcarbamoyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786667
N-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
2-amino-3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385362
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide (CID 94813876) is N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide is O=C(CSC[C@@H](O)c1ccccc1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The InChIKey is QXHOMAHSDITJAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3S/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/h1,3-4,7-8,14-15,20H,2,5-6,9-12H2,(H2,18,19,21,22)/t15-/m1/s1.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide has a molecular weight of 336.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 94813876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).