methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate

C22H26N2O4S — CID 1131009

IUPACmethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C22H26N2O4S/c1-13-9-11-15(12-10-13)19(25)24-21-17(22(27)28-3)14(2)18(29-21)20(26)23-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQZYLIKQUPDZJPM-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.47
Rot. Bonds5

About methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate

methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate (PubChem CID 1131009) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
PubChem CID1131009
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Namemethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C22H26N2O4S/c1-13-9-11-15(12-10-13)19(25)24-21-17(22(27)28-3)14(2)18(29-21)20(26)23-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQZYLIKQUPDZJPM-UHFFFAOYSA-N
XLogP4.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-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 5-(cyclopentylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4128602
methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17064008
N-cyclooctyl-4-methylbenzamide
CID 3995245
methyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 3135343
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
methyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 1131159
ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-(cyclohexylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 2167844
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5-(cyclohexylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3141707
methyl 5-carbamoyl-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225568
ethyl 5-(cyclohexylcarbamoyl)-2-[(2,4-dichlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4030518
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 44918808

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate (CID 1131009) is methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)NC2CCCCC2)c1C.
What is the InChIKey of methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is QZYLIKQUPDZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-13-9-11-15(12-10-13)19(25)24-21-17(22(27)28-3)14(2)18(29-21)20(26)23-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 414.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1131009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).