5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide

C12H12N4O4S — CID 146331549

IUPAC5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC=O)s1
InChIInChI=1S/C12H12N4O4S/c13-5-8-1-2-9(21-8)12(20)16-7-11(19)15-6-10(18)14-3-4-17/h1-2,4H,3,6-7H2,(H,14,18)(H,15,19)(H,16,20)
InChIKeyFALYDEFGENTEPU-UHFFFAOYSA-N
MW308.32 g/mol
LogP-1.22
Rot. Bonds7

About 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide

5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 146331549) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID146331549
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC=O)s1
InChIInChI=1S/C12H12N4O4S/c13-5-8-1-2-9(21-8)12(20)16-7-11(19)15-6-10(18)14-3-4-17/h1-2,4H,3,6-7H2,(H,14,18)(H,15,19)(H,16,20)
InChIKeyFALYDEFGENTEPU-UHFFFAOYSA-N
XLogP-1.22
TPSA128.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide (CID 146331549) is 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide is N#Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC=O)s1.
What is the InChIKey of 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is FALYDEFGENTEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c13-5-8-1-2-9(21-8)12(20)16-7-11(19)15-6-10(18)14-3-4-17/h1-2,4H,3,6-7H2,(H,14,18)(H,15,19)(H,16,20).
What are the key properties of 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide?
5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 308.32 g/mol, XLogP of -1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 146331549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).