3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide

C23H22N4O2S — CID 8862793

IUPAC3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1sc(-c2ccccc2)cc1N)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H22N4O2S/c1-15(17-9-5-10-18(13-17)27-12-6-11-21(27)28)25-26-23(29)22-19(24)14-20(30-22)16-7-3-2-4-8-16/h2-5,7-10,13-14H,6,11-12,24H2,1H3,(H,26,29)/b25-15-
InChIKeyJFGSNCKWLCWMNJ-MYYYXRDXSA-N
MW418.52 g/mol
LogP4.28
Rot. Bonds5

About 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide

3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide (PubChem CID 8862793) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
PubChem CID8862793
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1sc(-c2ccccc2)cc1N)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H22N4O2S/c1-15(17-9-5-10-18(13-17)27-12-6-11-21(27)28)25-26-23(29)22-19(24)14-20(30-22)16-7-3-2-4-8-16/h2-5,7-10,13-14H,6,11-12,24H2,1H3,(H,26,29)/b25-15-
InChIKeyJFGSNCKWLCWMNJ-MYYYXRDXSA-N
XLogP4.28
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8860986
N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 8826557
2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8862777
1-[3-[C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]pyrrolidin-2-one
CID 71901547
4-methyl-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzenesulfonamide
CID 8826083
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 8984175
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
CID 790502
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5406284

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide (CID 8862793) is 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide is C/C(=N/NC(=O)c1sc(-c2ccccc2)cc1N)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide?
The InChIKey is JFGSNCKWLCWMNJ-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15(17-9-5-10-18(13-17)27-12-6-11-21(27)28)25-26-23(29)22-19(24)14-20(30-22)16-7-3-2-4-8-16/h2-5,7-10,13-14H,6,11-12,24H2,1H3,(H,26,29)/b25-15-.
What are the key properties of 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide?
3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 8862793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).