methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate

C22H23NO4S2 — CID 16832177

IUPACmethyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H23NO4S2/c1-14(2)16-9-11-18(12-10-16)23-29(25,26)21-19(13-28-20(21)22(24)27-4)17-7-5-15(3)6-8-17/h5-14,23H,1-4H3
InChIKeyQQRLQZXZRPHZRQ-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.43
Rot. Bonds6

About methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 16832177) has the molecular formula C22H23NO4S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID16832177
Molecular FormulaC22H23NO4S2
Molecular Weight429.56 g/mol
Exact Mass429.11
IUPAC Namemethyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H23NO4S2/c1-14(2)16-9-11-18(12-10-16)23-29(25,26)21-19(13-28-20(21)22(24)27-4)17-7-5-15(3)6-8-17/h5-14,23H,1-4H3
InChIKeyQQRLQZXZRPHZRQ-UHFFFAOYSA-N
XLogP5.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-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

methyl 3-[(4-ethylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832133
methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 91886918
methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832170
ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 42584805
ethyl 3-[(4-ethoxyphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 50791867
methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 20944550
methyl 3-[(3-ethoxycarbonylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16956736
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
methyl 4-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
CID 2811381
methyl 3-amino-4-methyl-5-(4-propan-2-ylphenyl)thiophene-2-carboxylate
CID 63398957
methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
CID 102794851

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 16832177) is methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is QQRLQZXZRPHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S2/c1-14(2)16-9-11-18(12-10-16)23-29(25,26)21-19(13-28-20(21)22(24)27-4)17-7-5-15(3)6-8-17/h5-14,23H,1-4H3.
What are the key properties of methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 16832177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).