N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide

C19H14FN3O3S3 — CID 6616695

IUPACN-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1S(=O)(=O)c1cccs1)Nc1ccccc1F
InChIInChI=1S/C19H14FN3O3S3/c20-13-6-1-2-7-14(13)21-17(24)12-28-19-22-15-8-3-4-9-16(15)23(19)29(25,26)18-10-5-11-27-18/h1-11H,12H2,(H,21,24)
InChIKeyFRZLAHKVIILXEQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.20
Rot. Bonds6

About N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 6616695) has the molecular formula C19H14FN3O3S3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID6616695
Molecular FormulaC19H14FN3O3S3
Molecular Weight447.54 g/mol
Exact Mass447.02
IUPAC NameN-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1S(=O)(=O)c1cccs1)Nc1ccccc1F
InChIInChI=1S/C19H14FN3O3S3/c20-13-6-1-2-7-14(13)21-17(24)12-28-19-22-15-8-3-4-9-16(15)23(19)29(25,26)18-10-5-11-27-18/h1-11H,12H2,(H,21,24)
InChIKeyFRZLAHKVIILXEQ-UHFFFAOYSA-N
XLogP4.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
N-phenyl-N-prop-2-enyl-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 23851158
2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 134817030
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
CID 39929865
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide
CID 4302126
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4667582
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 1273809
N-(2-fluorophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2357566
N-(2-fluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7742757
N-(2,4-difluorophenyl)-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925665
N-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713171

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide (CID 6616695) is N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2n1S(=O)(=O)c1cccs1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is FRZLAHKVIILXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S3/c20-13-6-1-2-7-14(13)21-17(24)12-28-19-22-15-8-3-4-9-16(15)23(19)29(25,26)18-10-5-11-27-18/h1-11H,12H2,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 447.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 6616695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).