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

C25H27N3O6S — CID 50796818

IUPACN-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccc(OC)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H27N3O6S/c1-5-14-33-18-10-12-20(13-11-18)35(30,31)26-21-15-22-23(28(3)25(29)27(22)2)16-24(21)34-19-8-6-17(32-4)7-9-19/h6-13,15-16,26H,5,14H2,1-4H3
InChIKeyKHLUGFACEWXWPD-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.27
Rot. Bonds9

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

N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide (PubChem CID 50796818) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide
PubChem CID50796818
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC NameN-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccc(OC)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H27N3O6S/c1-5-14-33-18-10-12-20(13-11-18)35(30,31)26-21-15-22-23(28(3)25(29)27(22)2)16-24(21)34-19-8-6-17(32-4)7-9-19/h6-13,15-16,26H,5,14H2,1-4H3
InChIKeyKHLUGFACEWXWPD-UHFFFAOYSA-N
XLogP4.27
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
Iacs-9571
CID 91808039
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796602
N-[1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxobenzimidazol-5-yl]cyclopropanesulfonamide
CID 118896464
N-[6-[3-(6-aminohexoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 118896472
N-[6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 118896486
N-[6-[3-(3-aminopropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 118896529
IACS-7e
CID 118896778
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 6493142
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 15990206

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide?
The IUPAC name of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide (CID 50796818) is N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccc(OC)cc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide?
The InChIKey is KHLUGFACEWXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-5-14-33-18-10-12-20(13-11-18)35(30,31)26-21-15-22-23(28(3)25(29)27(22)2)16-24(21)34-19-8-6-17(32-4)7-9-19/h6-13,15-16,26H,5,14H2,1-4H3.
What are the key properties of N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide?
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide has a molecular weight of 497.57 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-propoxybenzenesulfonamide is sourced from PubChem (CID 50796818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).