3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide

C20H21ClN2OS — CID 55593022

IUPAC3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide
SMILESCCN(C(=O)CCSc1ccc(Cl)cc1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C20H21ClN2OS/c1-3-23(15(2)17-6-4-16(14-22)5-7-17)20(24)12-13-25-19-10-8-18(21)9-11-19/h4-11,15H,3,12-13H2,1-2H3
InChIKeyKCHWULFYQSSZIU-UHFFFAOYSA-N
MW372.92 g/mol
LogP5.30
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide

3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide (PubChem CID 55593022) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide
PubChem CID55593022
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide
SMILESCCN(C(=O)CCSc1ccc(Cl)cc1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C20H21ClN2OS/c1-3-23(15(2)17-6-4-16(14-22)5-7-17)20(24)12-13-25-19-10-8-18(21)9-11-19/h4-11,15H,3,12-13H2,1-2H3
InChIKeyKCHWULFYQSSZIU-UHFFFAOYSA-N
XLogP5.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.92
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethyl-5-methylsulfanylbenzamide
CID 55592511
N-[1-(4-cyanophenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 55593027
4-tert-butyl-N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]benzamide
CID 55593120
N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 75807703
N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide
CID 119582831
2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide
CID 42953959
3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide
CID 62334608
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63072580
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
4-[1-(4-chlorophenyl)ethyl]benzonitrile
CID 77428758
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976762

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide (CID 55593022) is 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide is CCN(C(=O)CCSc1ccc(Cl)cc1)C(C)c1ccc(C#N)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide?
The InChIKey is KCHWULFYQSSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c1-3-23(15(2)17-6-4-16(14-22)5-7-17)20(24)12-13-25-19-10-8-18(21)9-11-19/h4-11,15H,3,12-13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide?
3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide has a molecular weight of 372.92 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide is sourced from PubChem (CID 55593022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).