N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide

C13H18N2O3S — CID 47443078

IUPACN-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSCC(O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-2-14-13(18)15-12(17)9-19-8-11(16)10-6-4-3-5-7-10/h3-7,11,16H,2,8-9H2,1H3,(H2,14,15,17,18)
InChIKeyADDXIWPACKSGNX-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.30
Rot. Bonds6

About N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide

N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide (PubChem CID 47443078) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
PubChem CID47443078
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSCC(O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-2-14-13(18)15-12(17)9-19-8-11(16)10-6-4-3-5-7-10/h3-7,11,16H,2,8-9H2,1H3,(H2,14,15,17,18)
InChIKeyADDXIWPACKSGNX-UHFFFAOYSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.30
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-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94209967
N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94813876
N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
CID 114234945
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide
CID 143411629
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 52769842
2-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569219
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide (CID 47443078) is N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide is CCNC(=O)NC(=O)CSCC(O)c1ccccc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide?
The InChIKey is ADDXIWPACKSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-14-13(18)15-12(17)9-19-8-11(16)10-6-4-3-5-7-10/h3-7,11,16H,2,8-9H2,1H3,(H2,14,15,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide?
N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide has a molecular weight of 282.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide is sourced from PubChem (CID 47443078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).