methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate

C23H26N2O8S — CID 23364263

IUPACmethyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate
SMILESCCOc1ccc2c(c1)n(C1CCOCC1)c(=O)n2S(=O)(=O)c1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C23H26N2O8S/c1-4-33-17-6-7-18-19(14-17)24(16-9-11-32-12-10-16)23(27)25(18)34(28,29)21-8-5-15(22(26)31-3)13-20(21)30-2/h5-8,13-14,16H,4,9-12H2,1-3H3
InChIKeySXBHKMDEBLDGPD-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.59
Rot. Bonds7

About methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate

methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate (PubChem CID 23364263) has the molecular formula C23H26N2O8S and a molecular weight of 490.53 g/mol. Its IUPAC name is methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate
PubChem CID23364263
Molecular FormulaC23H26N2O8S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC Namemethyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate
SMILESCCOc1ccc2c(c1)n(C1CCOCC1)c(=O)n2S(=O)(=O)c1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C23H26N2O8S/c1-4-33-17-6-7-18-19(14-17)24(16-9-11-32-12-10-16)23(27)25(18)34(28,29)21-8-5-15(22(26)31-3)13-20(21)30-2/h5-8,13-14,16H,4,9-12H2,1-3H3
InChIKeySXBHKMDEBLDGPD-UHFFFAOYSA-N
XLogP2.59
TPSA115.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate 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

methyl 4-(3-cycloheptyl-5-ethoxy-2-oxobenzimidazol-1-yl)sulfonyl-3-methoxybenzoate
CID 23364288
3-[4-(3-cycloheptyl-5-ethoxy-2-oxobenzimidazol-1-yl)sulfonyl-3-methoxyphenyl]-1,1-diethylurea
CID 139664262
3-cyclohexyl-1-[4-(dimethylamino)-2-methoxyphenyl]sulfonyl-5-ethoxybenzimidazol-2-one
CID 15229039
methyl 9-(oxan-4-yl)carbazole-3-carboxylate
CID 59626411
4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560402
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
methyl 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-3-methoxybenzoate
CID 120707972
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
4-[(3-butan-2-yl-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)sulfonyl]-N-tert-butyl-3-methoxybenzamide
CID 46238678
methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
CID 59626225
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate?
The IUPAC name of methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate (CID 23364263) is methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate?
The canonical SMILES for methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate is CCOc1ccc2c(c1)n(C1CCOCC1)c(=O)n2S(=O)(=O)c1ccc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate?
The InChIKey is SXBHKMDEBLDGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O8S/c1-4-33-17-6-7-18-19(14-17)24(16-9-11-32-12-10-16)23(27)25(18)34(28,29)21-8-5-15(22(26)31-3)13-20(21)30-2/h5-8,13-14,16H,4,9-12H2,1-3H3.
What are the key properties of methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate?
methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate has a molecular weight of 490.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-ethoxy-3-(oxan-4-yl)-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxybenzoate is sourced from PubChem (CID 23364263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).