methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate

C23H24N2O6S2 — CID 16833634

IUPACmethyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-25(14-16-6-5-13-31-16)33(28,29)17-11-9-15(10-12-17)22(26)24-20-18-7-3-4-8-19(18)32-21(20)23(27)30-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,24,26)
InChIKeyQKSBRPVIQLILPH-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.74
Rot. Bonds7

About methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate

methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate (PubChem CID 16833634) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
PubChem CID16833634
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Namemethyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-25(14-16-6-5-13-31-16)33(28,29)17-11-9-15(10-12-17)22(26)24-20-18-7-3-4-8-19(18)32-21(20)23(27)30-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,24,26)
InChIKeyQKSBRPVIQLILPH-UHFFFAOYSA-N
XLogP3.74
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 16833627
ethyl 4-cyano-3-methyl-5-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]thiophene-2-carboxylate
CID 43981369
N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43947187
N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 7202655
4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41139913
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18560848
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560940
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 136629450
N-(1-benzothiophen-5-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560873
N-(6-chloro-1,3-benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43937109
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 43937113
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate (CID 16833634) is methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1.
What is the InChIKey of methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate?
The InChIKey is QKSBRPVIQLILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-25(14-16-6-5-13-31-16)33(28,29)17-11-9-15(10-12-17)22(26)24-20-18-7-3-4-8-19(18)32-21(20)23(27)30-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,24,26).
What are the key properties of methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate?
methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate has a molecular weight of 488.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 16833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).