[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate

C14H12N2O4S — CID 2098235

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C14H12N2O4S/c15-12(18)10-6-7-21-13(10)16-11(17)8-20-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,18)(H,16,17)
InChIKeyZMEACPDTYAZZOZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.64
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate (PubChem CID 2098235) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate
PubChem CID2098235
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C14H12N2O4S/c15-12(18)10-6-7-21-13(10)16-11(17)8-20-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,18)(H,16,17)
InChIKeyZMEACPDTYAZZOZ-UHFFFAOYSA-N
XLogP1.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-cyclopropyl-2-[[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 4022728
Methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
Methyl 4-(3-methylphenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
CID 2971567
Methyl 2-(3-phenylpropanamido)thiophene-3-carboxylate
CID 3332875
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
Ethyl 5'-(acetylamino)-2,3'-bithiophene-4'-carboxylate
CID 759955
Ethyl 5-phenyl-2-[[2-(3-sulfamoylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2108163
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2536570
Methyl 2-benzamidothiophene-3-carboxylate
CID 2808576
Methyl 2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 7254734
Methyl 4-(4-fluorophenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
CID 2931989
Methyl 2-[(2-thienylcarbonyl)amino]benzoate
CID 681893

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate (CID 2098235) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate is NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate?
The InChIKey is ZMEACPDTYAZZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c15-12(18)10-6-7-21-13(10)16-11(17)8-20-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,18)(H,16,17).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate has a molecular weight of 304.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 2098235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).