(2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C16H14FN3OS — CID 40809541

IUPAC(2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C16H14FN3OS/c1-20-13-5-3-2-4-12(13)19-16(20)22-14(15(18)21)10-6-8-11(17)9-7-10/h2-9,14H,1H3,(H2,18,21)/t14-/m1/s1
InChIKeyUQBQYPNCGBSSNI-CQSZACIVSA-N
MW315.37 g/mol
LogP3.03
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

(2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 40809541) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID40809541
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name(2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C16H14FN3OS/c1-20-13-5-3-2-4-12(13)19-16(20)22-14(15(18)21)10-6-8-11(17)9-7-10/h2-9,14H,1H3,(H2,18,21)/t14-/m1/s1
InChIKeyUQBQYPNCGBSSNI-CQSZACIVSA-N
XLogP3.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 40809541) is (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is UQBQYPNCGBSSNI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-20-13-5-3-2-4-12(13)19-16(20)22-14(15(18)21)10-6-8-11(17)9-7-10/h2-9,14H,1H3,(H2,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
(2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 315.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 40809541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).