[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate

C17H13N3O4S — CID 3481111

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H13N3O4S/c18-15(22)11-7-8-25-16(11)20-14(21)9-24-17(23)13-6-5-10-3-1-2-4-12(10)19-13/h1-8H,9H2,(H2,18,22)(H,20,21)
InChIKeyXAXCBLWUNGMNKC-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.19
Rot. Bonds5

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 3481111) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID3481111
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H13N3O4S/c18-15(22)11-7-8-25-16(11)20-14(21)9-24-17(23)13-6-5-10-3-1-2-4-12(10)19-13/h1-8H,9H2,(H2,18,22)(H,20,21)
InChIKeyXAXCBLWUNGMNKC-UHFFFAOYSA-N
XLogP2.19
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605172
[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2428739
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 3445289
dimethyl 3-methyl-5-[[2-(quinoline-2-carbonyloxy)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2680634
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 5031541
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
[2-(3,4-difluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2466704
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
CID 3355066
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 4226974
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate (CID 3481111) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate is NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is XAXCBLWUNGMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c18-15(22)11-7-8-25-16(11)20-14(21)9-24-17(23)13-6-5-10-3-1-2-4-12(10)19-13/h1-8H,9H2,(H2,18,22)(H,20,21).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 355.38 g/mol, XLogP of 2.19, 5 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] quinoline-2-carboxylate is sourced from PubChem (CID 3481111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).