N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide

C20H24N4O5S — CID 15990206

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H24N4O5S/c1-22-18-12-16(21-30(26,27)15-6-4-14(28-3)5-7-15)17(24-8-10-29-11-9-24)13-19(18)23(2)20(22)25/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeySXHXZEANTUSWFN-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.52
Rot. Bonds5

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 15990206) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
PubChem CID15990206
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H24N4O5S/c1-22-18-12-16(21-30(26,27)15-6-4-14(28-3)5-7-15)17(24-8-10-29-11-9-24)13-19(18)23(2)20(22)25/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeySXHXZEANTUSWFN-UHFFFAOYSA-N
XLogP1.52
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 6494053
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 6493637
6-fluoro-4-(3-methoxyphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 57392800
6-fluoro-4-(4-methoxyphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 57396272
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (2-methoxy-phenyl)-amide
CID 1093433
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 6493142
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 6501570
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 15990089
1-Ethyl-3-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]urea
CID 16309086
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine-1-carboxamide
CID 17379494
4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 27869227

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide (CID 15990206) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is SXHXZEANTUSWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-22-18-12-16(21-30(26,27)15-6-4-14(28-3)5-7-15)17(24-8-10-29-11-9-24)13-19(18)23(2)20(22)25/h4-7,12-13,21H,8-11H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 15990206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).