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

C23H24N2O5S2 — CID 1309906

IUPACethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc(C)c1C
InChIInChI=1S/C23H24N2O5S2/c1-5-30-23(27)20-15(2)16(3)31-22(20)24-21(26)17-11-13-18(14-12-17)25(4)32(28,29)19-9-7-6-8-10-19/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeyRZLZJCLNNGSWFA-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.62
Rot. Bonds7

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

ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 1309906) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID1309906
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Nameethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc(C)c1C
InChIInChI=1S/C23H24N2O5S2/c1-5-30-23(27)20-15(2)16(3)31-22(20)24-21(26)17-11-13-18(14-12-17)25(4)32(28,29)19-9-7-6-8-10-19/h6-14H,5H2,1-4H3,(H,24,26)
InChIKeyRZLZJCLNNGSWFA-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

ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16833611
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7579443
methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41006324
diethyl 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 3656834
ethyl 6-acetyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4121600
ethyl 6-ethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3626023
ethyl 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3273037
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902207
methyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1312653
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
ethyl 3-carbamoyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4100161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 1309906) is ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is RZLZJCLNNGSWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-5-30-23(27)20-15(2)16(3)31-22(20)24-21(26)17-11-13-18(14-12-17)25(4)32(28,29)19-9-7-6-8-10-19/h6-14H,5H2,1-4H3,(H,24,26).
What are the key properties of ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[4-[benzenesulfonyl(methyl)amino]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 ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 1309906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).