N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide

C26H29N3O7S — CID 118896778

IUPACN-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C26H29N3O7S/c1-6-12-35-17-8-7-9-18(13-17)36-24-16-22-21(28(2)26(30)29(22)3)15-20(24)27-37(31,32)19-10-11-23(33-4)25(14-19)34-5/h7-11,13-16,27H,6,12H2,1-5H3
InChIKeyDYNNLYLIKZTWRT-UHFFFAOYSA-N
MW527.60 g/mol
LogP4.28
Rot. Bonds10

About N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide

N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 118896778) has the molecular formula C26H29N3O7S and a molecular weight of 527.60 g/mol. Its IUPAC name is N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID118896778
Molecular FormulaC26H29N3O7S
Molecular Weight527.60 g/mol
Exact Mass527.17
IUPAC NameN-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C26H29N3O7S/c1-6-12-35-17-8-7-9-18(13-17)36-24-16-22-21(28(2)26(30)29(22)3)15-20(24)27-37(31,32)19-10-11-23(33-4)25(14-19)34-5/h7-11,13-16,27H,6,12H2,1-5H3
InChIKeyDYNNLYLIKZTWRT-UHFFFAOYSA-N
XLogP4.28
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[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
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
4-methoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 50820637
N-(1,3-dimethyl-2-oxo-6-phenoxy-2,3-dihydro-1H-benzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 50820716

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide (CID 118896778) is N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide is CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is DYNNLYLIKZTWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O7S/c1-6-12-35-17-8-7-9-18(13-17)36-24-16-22-21(28(2)26(30)29(22)3)15-20(24)27-37(31,32)19-10-11-23(33-4)25(14-19)34-5/h7-11,13-16,27H,6,12H2,1-5H3.
What are the key properties of N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide?
N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 527.60 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 118896778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).