5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide

C16H16N4O2S — CID 18143858

IUPAC5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C16H16N4O2S/c1-10(21)18-15-7-6-13(23-15)16(22)17-9-8-14-19-11-4-2-3-5-12(11)20-14/h2-7H,8-9H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyRFKVSVNJKISSHG-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.56
Rot. Bonds5

About 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide

5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 18143858) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID18143858
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C16H16N4O2S/c1-10(21)18-15-7-6-13(23-15)16(22)17-9-8-14-19-11-4-2-3-5-12(11)20-14/h2-7H,8-9H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyRFKVSVNJKISSHG-UHFFFAOYSA-N
XLogP2.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110460612
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CID 17394585
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
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4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 18143858) is 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)s1.
What is the InChIKey of 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is RFKVSVNJKISSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10(21)18-15-7-6-13(23-15)16(22)17-9-8-14-19-11-4-2-3-5-12(11)20-14/h2-7H,8-9H2,1H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18143858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).