N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide

C23H23N3O5S — CID 50796792

IUPACN-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccccc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H23N3O5S/c1-15-7-5-6-8-22(15)32(28,29)24-18-13-19-20(26(3)23(27)25(19)2)14-21(18)31-17-11-9-16(30-4)10-12-17/h5-14,24H,1-4H3
InChIKeyRFSPUQBCFUGQNP-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.79
Rot. Bonds6

About N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide

N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide (PubChem CID 50796792) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide
PubChem CID50796792
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccccc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H23N3O5S/c1-15-7-5-6-8-22(15)32(28,29)24-18-13-19-20(26(3)23(27)25(19)2)14-21(18)31-17-11-9-16(30-4)10-12-17/h5-14,24H,1-4H3
InChIKeyRFSPUQBCFUGQNP-UHFFFAOYSA-N
XLogP3.79
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
CID 35397514
3,4-Dimethoxy-N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796983
N-{6-[3-(Benzyloxy)phenoxy]-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl}-3,4-Dimethoxybenzenesulfonamide
CID 91808036
N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796602
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 46228525
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46228819
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
CID 46228855
4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
CID 50796734
N-(1,3-dimethyl-2-oxo-6-phenoxy-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-3,4-dimethoxy-1-benzenesulfonamide
CID 50796762
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 50796790
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 50796873
4-methoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 50820637

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide (CID 50796792) is N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide is COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccccc2C)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide?
The InChIKey is RFSPUQBCFUGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-15-7-5-6-8-22(15)32(28,29)24-18-13-19-20(26(3)23(27)25(19)2)14-21(18)31-17-11-9-16(30-4)10-12-17/h5-14,24H,1-4H3.
What are the key properties of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide?
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 50796792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).