ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

C26H30N2O5S2 — CID 16833611

IUPACethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)sc(C)c1C
InChIInChI=1S/C26H30N2O5S2/c1-6-33-26(30)23-18(4)19(5)34-25(23)27-24(29)21-12-14-22(15-13-21)35(31,32)28(17(2)3)16-20-10-8-7-9-11-20/h7-15,17H,6,16H2,1-5H3,(H,27,29)
InChIKeyHKLIRZAKRITMJJ-UHFFFAOYSA-N
MW514.67 g/mol
LogP5.39
Rot. Bonds9

About ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 16833611) has the molecular formula C26H30N2O5S2 and a molecular weight of 514.67 g/mol. Its IUPAC name is ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID16833611
Molecular FormulaC26H30N2O5S2
Molecular Weight514.67 g/mol
Exact Mass514.16
IUPAC Nameethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)sc(C)c1C
InChIInChI=1S/C26H30N2O5S2/c1-6-33-26(30)23-18(4)19(5)34-25(23)27-24(29)21-12-14-22(15-13-21)35(31,32)28(17(2)3)16-20-10-8-7-9-11-20/h7-15,17H,6,16H2,1-5H3,(H,27,29)
InChIKeyHKLIRZAKRITMJJ-UHFFFAOYSA-N
XLogP5.39
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate 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

ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16833602
ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1309906
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
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
methyl 6-benzyl-2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43947117
ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
CID 41044645
ethyl 2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 42100761
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 7153842
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 16833611) is ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is HKLIRZAKRITMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S2/c1-6-33-26(30)23-18(4)19(5)34-25(23)27-24(29)21-12-14-22(15-13-21)35(31,32)28(17(2)3)16-20-10-8-7-9-11-20/h7-15,17H,6,16H2,1-5H3,(H,27,29).
What are the key properties of ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 514.67 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 16833611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).