3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide

C14H20ClNO2S — CID 115771889

IUPAC3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-2-16(9-3-10-17)14(18)8-11-19-13-6-4-12(15)5-7-13/h4-7,17H,2-3,8-11H2,1H3
InChIKeyUNIHUMVSRUZUOD-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.05
Rot. Bonds8

About 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 115771889) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID115771889
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-2-16(9-3-10-17)14(18)8-11-19-13-6-4-12(15)5-7-13/h4-7,17H,2-3,8-11H2,1H3
InChIKeyUNIHUMVSRUZUOD-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
CID 113339399
3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771344
3-[ethyl-[3-(4-fluorophenyl)sulfanylpropanoyl]amino]propanoic acid
CID 61007466
3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43577284
4-[4-(diethylamino)-4-oxobutyl]sulfanylbenzoic acid
CID 43169843
3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771223
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 26266197
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63072580
2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid
CID 43092152
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
2-[ethyl-[3-(4-fluorophenyl)sulfanylpropanoyl]amino]acetic acid
CID 61021149

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 115771889) is 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is UNIHUMVSRUZUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-16(9-3-10-17)14(18)8-11-19-13-6-4-12(15)5-7-13/h4-7,17H,2-3,8-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 301.84 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115771889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).