N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide

C21H22FN3OS — CID 134039558

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22FN3OS/c22-18-6-8-19(9-7-18)27-15-11-21(26)24-12-10-20-23-13-14-25(20)16-17-4-2-1-3-5-17/h1-9,13-14H,10-12,15-16H2,(H,24,26)
InChIKeyXQQHCSCRRYXTNM-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.91
Rot. Bonds9

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 134039558) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID134039558
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H22FN3OS/c22-18-6-8-19(9-7-18)27-15-11-21(26)24-12-10-20-23-13-14-25(20)16-17-4-2-1-3-5-17/h1-9,13-14H,10-12,15-16H2,(H,24,26)
InChIKeyXQQHCSCRRYXTNM-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
1-[(1-benzylimidazol-2-yl)methyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylguanidine
CID 111795487
3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide
CID 51134602
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134027600
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 134027611
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 126773827
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 134039594
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134039804

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 134039558) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is XQQHCSCRRYXTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3OS/c22-18-6-8-19(9-7-18)27-15-11-21(26)24-12-10-20-23-13-14-25(20)16-17-4-2-1-3-5-17/h1-9,13-14H,10-12,15-16H2,(H,24,26).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 383.49 g/mol, XLogP of 3.91, 9 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]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 134039558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).