N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide

C21H19N3O6S — CID 18560636

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H19N3O6S/c1-22-17-11-10-16(13-18(17)23(2)21(22)26)31(27,28)24(20(25)19-5-4-12-30-19)14-6-8-15(29-3)9-7-14/h4-13H,1-3H3
InChIKeyGHXBMSFSAANQEU-UHFFFAOYSA-N
MW441.47 g/mol
LogP2.51
Rot. Bonds5

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 18560636) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID18560636
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H19N3O6S/c1-22-17-11-10-16(13-18(17)23(2)21(22)26)31(27,28)24(20(25)19-5-4-12-30-19)14-6-8-15(29-3)9-7-14/h4-13H,1-3H3
InChIKeyGHXBMSFSAANQEU-UHFFFAOYSA-N
XLogP2.51
TPSA103.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide (CID 18560636) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is GHXBMSFSAANQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-22-17-11-10-16(13-18(17)23(2)21(22)26)31(27,28)24(20(25)19-5-4-12-30-19)14-6-8-15(29-3)9-7-14/h4-13H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 18560636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).