[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate

C16H16N2O6S — CID 2527268

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C16H16N2O6S/c1-22-10-5-9(6-11(7-10)23-2)16(21)24-8-13(19)18-15-12(14(17)20)3-4-25-15/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyGOAJHOOZVXXTKZ-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.66
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate (PubChem CID 2527268) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
PubChem CID2527268
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C16H16N2O6S/c1-22-10-5-9(6-11(7-10)23-2)16(21)24-8-13(19)18-15-12(14(17)20)3-4-25-15/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyGOAJHOOZVXXTKZ-UHFFFAOYSA-N
XLogP1.66
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate 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

[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2603958
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
4-(4-Methoxy-phenyl)-2-[2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-acetylamino]-thiophene-3-carboxylic acid ethyl ester
CID 1194284
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
5-Ethyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 1036292
2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1548116
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 2403831
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2527216
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate
CID 4781237
Methyl 5'-(3,5-dimethoxybenzamido)-[2,3'-bithiophene]-4'-carboxylate
CID 16015206

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate (CID 2527268) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
The InChIKey is GOAJHOOZVXXTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-22-10-5-9(6-11(7-10)23-2)16(21)24-8-13(19)18-15-12(14(17)20)3-4-25-15/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate has a molecular weight of 364.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 2527268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).