N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide

C20H23N3O5S — CID 50824815

IUPACN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccco3)cc21
InChIInChI=1S/C20H23N3O5S/c1-22-15-11-14(21-19(24)17-9-6-10-28-17)18(12-16(15)23(2)20(22)25)29(26,27)13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3,(H,21,24)
InChIKeyWRUPBEXTPVRSPU-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.83
Rot. Bonds4

About N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide

N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide (PubChem CID 50824815) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
PubChem CID50824815
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccco3)cc21
InChIInChI=1S/C20H23N3O5S/c1-22-15-11-14(21-19(24)17-9-6-10-28-17)18(12-16(15)23(2)20(22)25)29(26,27)13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3,(H,21,24)
InChIKeyWRUPBEXTPVRSPU-UHFFFAOYSA-N
XLogP2.83
TPSA103.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
CID 50824365
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 22433283
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
CID 50824132
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78772109
N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide
CID 47069326
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
CID 46341405
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide (CID 50824815) is N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccco3)cc21.
What is the InChIKey of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is WRUPBEXTPVRSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-22-15-11-14(21-19(24)17-9-6-10-28-17)18(12-16(15)23(2)20(22)25)29(26,27)13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3,(H,21,24).
What are the key properties of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide?
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 50824815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).