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

1-{3-[(4-Chlorophenyl)thio]propanoyl}azepane
CID 881444
2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 875508
3-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 2207240
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
Acetic acid, ((4-chlorophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
CID 55470
3-[(4-Chlorophenyl)sulfanyl]-1-(morpholin-4-yl)propan-1-one
CID 900131
Ethyl 4-{3-[(4-chlorophenyl)sulfanyl]propanoyl}piperazine-1-carboxylate
CID 1143148
Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)
CID 60040
3-[(4-chlorophenyl)sulfanyl]-N-(3-methoxypropyl)propanamide
CID 2273339
2-(4-Chlorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 875237
2-(4-chlorophenyl)sulfanyl-2-fluoro-N,N-di(propan-2-yl)acetamide
CID 12007556

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).