3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

C13H17ClN2O2S — CID 9224495

IUPAC3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2S/c1-2-15-13(18)9-16-12(17)7-8-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyPSMPRYJQHDXBMK-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.07
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 9224495) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID9224495
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2S/c1-2-15-13(18)9-16-12(17)7-8-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyPSMPRYJQHDXBMK-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 62324245
(2S)-2-[[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695335
4-(4-chlorophenyl)sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 27742915
ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]acetate
CID 60811652
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578363
3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914732
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
N-(2-bromoprop-2-enyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 113227505
3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
CID 79148198
3-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide
CID 3485730

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 9224495) is 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CNC(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is PSMPRYJQHDXBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-2-15-13(18)9-16-12(17)7-8-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 300.81 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 9224495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).