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

C16H17N3O2S — CID 4587433

IUPACN-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCc1ccc2nc(SC(C)C(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C16H17N3O2S/c1-10-5-6-13-14(8-10)19-16(18-13)22-11(2)15(20)17-9-12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQSJLYLXLBPUSLG-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.26
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (PubChem CID 4587433) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
PubChem CID4587433
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCc1ccc2nc(SC(C)C(=O)NCc3ccco3)[nH]c2c1
InChIInChI=1S/C16H17N3O2S/c1-10-5-6-13-14(8-10)19-16(18-13)22-11(2)15(20)17-9-12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQSJLYLXLBPUSLG-UHFFFAOYSA-N
XLogP3.26
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (CID 4587433) is N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide is Cc1ccc2nc(SC(C)C(=O)NCc3ccco3)[nH]c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The InChIKey is QSJLYLXLBPUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-5-6-13-14(8-10)19-16(18-13)22-11(2)15(20)17-9-12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide has a molecular weight of 315.40 g/mol, XLogP of 3.26, 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]propanamide is sourced from PubChem (CID 4587433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).