[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate

C16H16N2O5S — CID 2521866

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-2-22-11-5-3-10(4-6-11)16(21)23-9-13(19)18-15-12(14(17)20)7-8-24-15/h3-8H,2,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyNMVYXEYOMHLPDV-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.04
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 2521866) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
PubChem CID2521866
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-2-22-11-5-3-10(4-6-11)16(21)23-9-13(19)18-15-12(14(17)20)7-8-24-15/h3-8H,2,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyNMVYXEYOMHLPDV-UHFFFAOYSA-N
XLogP2.04
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561770
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 2521893
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 9453608
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494947
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate (CID 2521866) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is NMVYXEYOMHLPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-2-22-11-5-3-10(4-6-11)16(21)23-9-13(19)18-15-12(14(17)20)7-8-24-15/h3-8H,2,9H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate has a molecular weight of 348.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate is sourced from PubChem (CID 2521866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).