2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C14H11F2N3OS2 — CID 34375365

IUPAC2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCc1cccs1
InChIInChI=1S/C14H11F2N3OS2/c15-9-4-11-12(5-10(9)16)19-14(18-11)22-7-13(20)17-6-8-2-1-3-21-8/h1-5H,6-7H2,(H,17,20)(H,18,19)
InChIKeyKSLANNGZGJVREF-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.31
Rot. Bonds5

About 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 34375365) has the molecular formula C14H11F2N3OS2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID34375365
Molecular FormulaC14H11F2N3OS2
Molecular Weight339.39 g/mol
Exact Mass339.03
IUPAC Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCc1cccs1
InChIInChI=1S/C14H11F2N3OS2/c15-9-4-11-12(5-10(9)16)19-14(18-11)22-7-13(20)17-6-8-2-1-3-21-8/h1-5H,6-7H2,(H,17,20)(H,18,19)
InChIKeyKSLANNGZGJVREF-UHFFFAOYSA-N
XLogP3.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 55532408
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 34375248
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 112843089
2-[2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 136617175
2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 43303693
4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 34375476
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 25406762
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 39044875
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2707127
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 1046644
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17459369
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 34375365) is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCc1cccs1.
What is the InChIKey of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KSLANNGZGJVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS2/c15-9-4-11-12(5-10(9)16)19-14(18-11)22-7-13(20)17-6-8-2-1-3-21-8/h1-5H,6-7H2,(H,17,20)(H,18,19).
What are the key properties of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 34375365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).