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

C18H22N2O3S — CID 26902207

IUPACethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc(N(C)C)c2)sc(C)c1C
InChIInChI=1S/C18H22N2O3S/c1-6-23-18(22)15-11(2)12(3)24-17(15)19-16(21)13-8-7-9-14(10-13)20(4)5/h7-10H,6H2,1-5H3,(H,19,21)
InChIKeyXOOMZFJLQOBVFN-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.86
Rot. Bonds5

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

ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 26902207) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID26902207
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Nameethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc(N(C)C)c2)sc(C)c1C
InChIInChI=1S/C18H22N2O3S/c1-6-23-18(22)15-11(2)12(3)24-17(15)19-16(21)13-8-7-9-14(10-13)20(4)5/h7-10H,6H2,1-5H3,(H,19,21)
InChIKeyXOOMZFJLQOBVFN-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[3-(dimethylamino)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

methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2518559
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 673523
ethyl 2-[(5-iodothiophene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 79691498
ethyl 2-[(3,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902176
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
ethyl 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1309906
ethyl 2-[(3-bromobenzoyl)amino]-4-methyl-5-propylthiophene-3-carboxylate
CID 1106424
2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 4957428
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
ethyl 4,5-dimethyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 1256694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 26902207) is ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccc(N(C)C)c2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is XOOMZFJLQOBVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-6-23-18(22)15-11(2)12(3)24-17(15)19-16(21)13-8-7-9-14(10-13)20(4)5/h7-10H,6H2,1-5H3,(H,19,21).
What are the key properties of ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 346.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 26902207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).