N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide

C21H22ClN3OS — CID 134027611

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22ClN3OS/c1-16(27-19-9-7-18(22)8-10-19)21(26)24-12-11-20-23-13-14-25(20)15-17-5-3-2-4-6-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,24,26)
InChIKeyUKWMHHDAGOPIQF-UHFFFAOYSA-N
MW399.95 g/mol
LogP4.42
Rot. Bonds8

About N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 134027611) has the molecular formula C21H22ClN3OS and a molecular weight of 399.95 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID134027611
Molecular FormulaC21H22ClN3OS
Molecular Weight399.95 g/mol
Exact Mass399.12
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22ClN3OS/c1-16(27-19-9-7-18(22)8-10-19)21(26)24-12-11-20-23-13-14-25(20)15-17-5-3-2-4-6-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,24,26)
InChIKeyUKWMHHDAGOPIQF-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 134039599
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 24500467
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CID 41463586
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide (CID 134027611) is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide is CC(Sc1ccc(Cl)cc1)C(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is UKWMHHDAGOPIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3OS/c1-16(27-19-9-7-18(22)8-10-19)21(26)24-12-11-20-23-13-14-25(20)15-17-5-3-2-4-6-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,24,26).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 399.95 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 134027611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).