N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide

C13H19NO2S — CID 113339399

IUPACN-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
SMILESCCN(CCCO)C(=O)CSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-14(9-6-10-15)13(16)11-17-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChIKeyDJIBWJUAFWVQMC-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.01
Rot. Bonds7

About N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide

N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide (PubChem CID 113339399) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
PubChem CID113339399
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
SMILESCCN(CCCO)C(=O)CSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-14(9-6-10-15)13(16)11-17-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChIKeyDJIBWJUAFWVQMC-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771303
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
N-(cyanomethyl)-2-phenylsulfanyl-N-propylacetamide
CID 78968777
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
3-[ethyl-[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]propanoic acid
CID 119191219
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-[ethyl-(2-phenylsulfanylacetyl)amino]-2-methylpropanoic acid
CID 55123434
N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612016

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide (CID 113339399) is N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide is CCN(CCCO)C(=O)CSc1ccccc1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide?
The InChIKey is DJIBWJUAFWVQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-14(9-6-10-15)13(16)11-17-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide?
N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 113339399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).