2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide

C18H21ClN2OS — CID 112810915

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2OS/c1-12(14-6-4-7-15(19)10-14)20-13(2)18(22)21-16-8-5-9-17(11-16)23-3/h4-13,20H,1-3H3,(H,21,22)
InChIKeyXKYBQZVWCNXKCM-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.74
Rot. Bonds6

About 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide

2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 112810915) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID112810915
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2OS/c1-12(14-6-4-7-15(19)10-14)20-13(2)18(22)21-16-8-5-9-17(11-16)23-3/h4-13,20H,1-3H3,(H,21,22)
InChIKeyXKYBQZVWCNXKCM-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281792
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 51243795
2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
CID 46667108
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
N-(2-chloro-4-fluorophenyl)-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 78636483
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 100697984
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51243791
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide (CID 112810915) is 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)C(C)NC(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is XKYBQZVWCNXKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-12(14-6-4-7-15(19)10-14)20-13(2)18(22)21-16-8-5-9-17(11-16)23-3/h4-13,20H,1-3H3,(H,21,22).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide?
2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 348.90 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 112810915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).