methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

C23H24N2O5S2 — CID 41006324

IUPACmethyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C23H24N2O5S2/c1-5-25(18-9-7-6-8-10-18)32(28,29)19-13-11-17(12-14-19)21(26)24-22-20(23(27)30-4)15(2)16(3)31-22/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeySSEHATUQMGPWNP-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.62
Rot. Bonds7

About methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 41006324) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID41006324
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Namemethyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C23H24N2O5S2/c1-5-25(18-9-7-6-8-10-18)32(28,29)19-13-11-17(12-14-19)21(26)24-22-20(23(27)30-4)15(2)16(3)31-22/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeySSEHATUQMGPWNP-UHFFFAOYSA-N
XLogP4.62
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-cyano-5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 44918905
ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1309906
ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16833611
dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 41085326
4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 4797097
methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55666471
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7579443
2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 27638618
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 41006324) is methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is SSEHATUQMGPWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-5-25(18-9-7-6-8-10-18)32(28,29)19-13-11-17(12-14-19)21(26)24-22-20(23(27)30-4)15(2)16(3)31-22/h6-14H,5H2,1-4H3,(H,24,26).
What are the key properties of methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 41006324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).