N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide

C17H16FN3OS — CID 41259236

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16FN3OS/c1-11(17-20-13-7-3-4-8-14(13)21-17)19-16(22)10-23-15-9-5-2-6-12(15)18/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyVHSAAKNIAOXJSN-NSHDSACASA-N
MW329.40 g/mol
LogP3.67
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 41259236) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID41259236
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16FN3OS/c1-11(17-20-13-7-3-4-8-14(13)21-17)19-16(22)10-23-15-9-5-2-6-12(15)18/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyVHSAAKNIAOXJSN-NSHDSACASA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide 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

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 60620348
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 60592461
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 41259236) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide is C[C@H](NC(=O)CSc1ccccc1F)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is VHSAAKNIAOXJSN-NSHDSACASA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-11(17-20-13-7-3-4-8-14(13)21-17)19-16(22)10-23-15-9-5-2-6-12(15)18/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 329.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 41259236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).