2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide

C14H20ClNO2S — CID 115772031

IUPAC2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-3-16(9-4-10-17)14(18)11(2)19-13-7-5-12(15)6-8-13/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyCNWTVYZMJXAJAQ-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 115772031) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID115772031
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-3-16(9-4-10-17)14(18)11(2)19-13-7-5-12(15)6-8-13/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyCNWTVYZMJXAJAQ-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78897361
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
CID 111596437
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
methyl 2-[benzyl-[2-(4-chlorophenyl)sulfanylpropanoyl]amino]acetate
CID 55817074
2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509489
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
CID 134930455
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 115771489

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 115772031) is 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is CNWTVYZMJXAJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-3-16(9-4-10-17)14(18)11(2)19-13-7-5-12(15)6-8-13/h5-8,11,17H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 301.84 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115772031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).