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

C16H13N3O5S — CID 4847147

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C16H13N3O5S/c17-7-10-1-3-11(4-2-10)23-9-14(21)24-8-13(20)19-16-12(15(18)22)5-6-25-16/h1-6H,8-9H2,(H2,18,22)(H,19,20)
InChIKeyFGHCVDDPCJZTBR-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.28
Rot. Bonds7

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 4847147) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID4847147
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C16H13N3O5S/c17-7-10-1-3-11(4-2-10)23-9-14(21)24-8-13(20)19-16-12(15(18)22)5-6-25-16/h1-6H,8-9H2,(H2,18,22)(H,19,20)
InChIKeyFGHCVDDPCJZTBR-UHFFFAOYSA-N
XLogP1.28
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate with MolForge

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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
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
2-[4-(2-Ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide
CID 2093480
[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'-[2-(4-propylphenoxy)acetamido]-[2,3'-bithiophene]-4'-carboxylate
CID 16015227
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(3-methylphenoxy)propanoate
CID 16279028
Ethyl 4-cyano-2-(2-(4-methoxyphenyl)acetamido)thiophene-3-carboxylate
CID 53322570
2-[2-[[5-Ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid
CID 2814698
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2481586

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 4847147) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is FGHCVDDPCJZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c17-7-10-1-3-11(4-2-10)23-9-14(21)24-8-13(20)19-16-12(15(18)22)5-6-25-16/h1-6H,8-9H2,(H2,18,22)(H,19,20).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 359.36 g/mol, XLogP of 1.28, 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] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 4847147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).