3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

C14H16ClN3OS — CID 115649606

IUPAC3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESO=C(CCSc1ccccc1Cl)NCCc1ncc[nH]1
InChIInChI=1S/C14H16ClN3OS/c15-11-3-1-2-4-12(11)20-10-6-14(19)18-7-5-13-16-8-9-17-13/h1-4,8-9H,5-7,10H2,(H,16,17)(H,18,19)
InChIKeyOTOQATPNAJSFJJ-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.90
Rot. Bonds7

About 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 115649606) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
PubChem CID115649606
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESO=C(CCSc1ccccc1Cl)NCCc1ncc[nH]1
InChIInChI=1S/C14H16ClN3OS/c15-11-3-1-2-4-12(11)20-10-6-14(19)18-7-5-13-16-8-9-17-13/h1-4,8-9H,5-7,10H2,(H,16,17)(H,18,19)
InChIKeyOTOQATPNAJSFJJ-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
CID 115748951
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43387535
N-(1H-benzimidazol-2-ylmethyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 112791121
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
CID 100742829
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
3-(2-chlorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944601
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
2-[[3-(2-chlorophenyl)sulfanylpropanoylamino]methyl]-3-methylbutanoic acid
CID 65219946

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (CID 115649606) is 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is O=C(CCSc1ccccc1Cl)NCCc1ncc[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is OTOQATPNAJSFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-11-3-1-2-4-12(11)20-10-6-14(19)18-7-5-13-16-8-9-17-13/h1-4,8-9H,5-7,10H2,(H,16,17)(H,18,19).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 309.82 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 115649606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).