2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide

C24H24N4O4S — CID 24514213

IUPAC2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C24H24N4O4S/c1-33-15-20-25-17-7-3-4-8-18(17)28(20)14-21(29)26-22-16-6-2-5-9-19(16)32-23(22)24(30)27-10-12-31-13-11-27/h2-9H,10-15H2,1H3,(H,26,29)
InChIKeyZJWHAANJTQBHBA-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.76
Rot. Bonds6

About 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide (PubChem CID 24514213) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
PubChem CID24514213
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C24H24N4O4S/c1-33-15-20-25-17-7-3-4-8-18(17)28(20)14-21(29)26-22-16-6-2-5-9-19(16)32-23(22)24(30)27-10-12-31-13-11-27/h2-9H,10-15H2,1H3,(H,26,29)
InChIKeyZJWHAANJTQBHBA-UHFFFAOYSA-N
XLogP3.76
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 37153190
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 51254645
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55448011
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47016427
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 51254966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide (CID 24514213) is 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12.
What is the InChIKey of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is ZJWHAANJTQBHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-33-15-20-25-17-7-3-4-8-18(17)28(20)14-21(29)26-22-16-6-2-5-9-19(16)32-23(22)24(30)27-10-12-31-13-11-27/h2-9H,10-15H2,1H3,(H,26,29).
What are the key properties of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 464.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 24514213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).