N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C16H16N4O3S — CID 2087569

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C16H16N4O3S/c1-10-4-5-12-13(7-10)19-16(18-12)24-9-14(21)20-15(22)17-8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,18,19)(H2,17,20,21,22)
InChIKeyYJUPYQLEKSNQFO-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.58
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2087569) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2087569
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C16H16N4O3S/c1-10-4-5-12-13(7-10)19-16(18-12)24-9-14(21)20-15(22)17-8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,18,19)(H2,17,20,21,22)
InChIKeyYJUPYQLEKSNQFO-UHFFFAOYSA-N
XLogP2.58
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2087569) is N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is YJUPYQLEKSNQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-4-5-12-13(7-10)19-16(18-12)24-9-14(21)20-15(22)17-8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,18,19)(H2,17,20,21,22).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).