ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate

C19H23N3O4S — CID 7521317

IUPACethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)NC)c1C
InChIInChI=1S/C19H23N3O4S/c1-6-26-19(25)15-11(2)14(17(24)20-3)18(27-15)21-16(23)12-7-9-13(10-8-12)22(4)5/h7-10H,6H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyAWOPCADGQJMAMO-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.91
Rot. Bonds6

About ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate

ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate (PubChem CID 7521317) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate
PubChem CID7521317
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Nameethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)NC)c1C
InChIInChI=1S/C19H23N3O4S/c1-6-26-19(25)15-11(2)14(17(24)20-3)18(27-15)21-16(23)12-7-9-13(10-8-12)22(4)5/h7-10H,6H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyAWOPCADGQJMAMO-UHFFFAOYSA-N
XLogP2.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)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

diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 7521374
diethyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate
CID 1112428
ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 5082140
ethyl 2-[(4-chlorobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 5244334
diethyl 3-methyl-5-[(4-propoxybenzoyl)amino]thiophene-2,4-dicarboxylate
CID 23829170
ethyl 5-[(4-fluorobenzoyl)amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 1496173
diethyl 5-[(3,4-difluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1227156
ethyl 2-[(4-bromobenzoyl)amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 1221975
ethyl 2-[(3-fluoro-4-methylbenzoyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 18102583
diethyl 5-[(4-hexoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19170779

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate (CID 7521317) is ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)NC)c1C.
What is the InChIKey of ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is AWOPCADGQJMAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-6-26-19(25)15-11(2)14(17(24)20-3)18(27-15)21-16(23)12-7-9-13(10-8-12)22(4)5/h7-10H,6H2,1-5H3,(H,20,24)(H,21,23).
What are the key properties of ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate?
ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 7521317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).