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

C15H15N3O2S — CID 2359439

IUPACN-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C15H15N3O2S/c1-10-4-5-12-13(7-10)18-15(17-12)21-9-14(19)16-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyWLUJROBPNAFUJQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.87
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2359439) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2359439
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C15H15N3O2S/c1-10-4-5-12-13(7-10)18-15(17-12)21-9-14(19)16-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyWLUJROBPNAFUJQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)acetamide
CID 16524013
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
CID 2443532
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-[(2S)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522885
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2359439) is N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)NCc3ccco3)[nH]c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is WLUJROBPNAFUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-4-5-12-13(7-10)18-15(17-12)21-9-14(19)16-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 301.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2359439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).