ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate

C23H24N2O3S — CID 44817663

IUPACethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CNCc2ccccc2)sc(-c2ccccc2)c1C
InChIInChI=1S/C23H24N2O3S/c1-3-28-23(27)20-16(2)21(18-12-8-5-9-13-18)29-22(20)25-19(26)15-24-14-17-10-6-4-7-11-17/h4-13,24H,3,14-15H2,1-2H3,(H,25,26)
InChIKeyWSVPKNKTGFVDHZ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.63
Rot. Bonds8

About ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate

ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate (PubChem CID 44817663) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate
PubChem CID44817663
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Nameethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CNCc2ccccc2)sc(-c2ccccc2)c1C
InChIInChI=1S/C23H24N2O3S/c1-3-28-23(27)20-16(2)21(18-12-8-5-9-13-18)29-22(20)25-19(26)15-24-14-17-10-6-4-7-11-17/h4-13,24H,3,14-15H2,1-2H3,(H,25,26)
InChIKeyWSVPKNKTGFVDHZ-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-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 4-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 8896365
ethyl 2-[[2-(benzylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1069047
[2-[(3-ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524519
ethyl 2-(benzylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 10544569
ethyl 2-[[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate
CID 39948659
ethyl 4-methyl-2-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 30054355
ethyl 2-benzamido-4-benzyl-5-phenylthiophene-3-carboxylate
CID 3119760
ethyl 2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate
CID 46825799
ethyl 2-[[2-[(4-chlorophenyl)methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 11837269
ethyl 4-methyl-2-[[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate
CID 42105794
diethyl 5-(benzylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 19649307
ethyl 5-acetyl-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
CID 1185690

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate (CID 44817663) is ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CNCc2ccccc2)sc(-c2ccccc2)c1C.
What is the InChIKey of ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate?
The InChIKey is WSVPKNKTGFVDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-28-23(27)20-16(2)21(18-12-8-5-9-13-18)29-22(20)25-19(26)15-24-14-17-10-6-4-7-11-17/h4-13,24H,3,14-15H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate?
ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate has a molecular weight of 408.52 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(benzylamino)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 44817663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).