[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate

C13H15N3O5S — CID 30338848

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CN1CCCC1=O
InChIInChI=1S/C13H15N3O5S/c14-12(20)8-3-5-22-13(8)15-9(17)7-21-11(19)6-16-4-1-2-10(16)18/h3,5H,1-2,4,6-7H2,(H2,14,20)(H,15,17)
InChIKeyXAMYSIIGXIFQEN-UHFFFAOYSA-N
MW325.35 g/mol
LogP-0.05
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate (PubChem CID 30338848) has the molecular formula C13H15N3O5S and a molecular weight of 325.35 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
PubChem CID30338848
Molecular FormulaC13H15N3O5S
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CN1CCCC1=O
InChIInChI=1S/C13H15N3O5S/c14-12(20)8-3-5-22-13(8)15-9(17)7-21-11(19)6-16-4-1-2-10(16)18/h3,5H,1-2,4,6-7H2,(H2,14,20)(H,15,17)
InChIKeyXAMYSIIGXIFQEN-UHFFFAOYSA-N
XLogP-0.05
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727491
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728004
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 42242519
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727908
methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7727985
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 16525668
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727947
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 4830446

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate (CID 30338848) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate is NC(=O)c1ccsc1NC(=O)COC(=O)CN1CCCC1=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
The InChIKey is XAMYSIIGXIFQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S/c14-12(20)8-3-5-22-13(8)15-9(17)7-21-11(19)6-16-4-1-2-10(16)18/h3,5H,1-2,4,6-7H2,(H2,14,20)(H,15,17).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate has a molecular weight of 325.35 g/mol, XLogP of -0.05, 6 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] 2-(2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 30338848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).