N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide

C24H20ClN3O2S — CID 86629215

IUPACN-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1)C1CCNC1
InChIInChI=1S/C24H20ClN3O2S/c25-18-3-1-15(2-4-18)21-13-16-10-12-28(24(30)22(16)31-21)20-7-5-19(6-8-20)27-23(29)17-9-11-26-14-17/h1-8,10,12-13,17,26H,9,11,14H2,(H,27,29)
InChIKeyHIOQVEWEGRSNRO-UHFFFAOYSA-N
MW449.96 g/mol
LogP4.92
Rot. Bonds4

About N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide

N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 86629215) has the molecular formula C24H20ClN3O2S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide
PubChem CID86629215
Molecular FormulaC24H20ClN3O2S
Molecular Weight449.96 g/mol
Exact Mass449.10
IUPAC NameN-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1)C1CCNC1
InChIInChI=1S/C24H20ClN3O2S/c25-18-3-1-15(2-4-18)21-13-16-10-12-28(24(30)22(16)31-21)20-7-5-19(6-8-20)27-23(29)17-9-11-26-14-17/h1-8,10,12-13,17,26H,9,11,14H2,(H,27,29)
InChIKeyHIOQVEWEGRSNRO-UHFFFAOYSA-N
XLogP4.92
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide (CID 86629215) is N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-n2ccc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1)C1CCNC1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HIOQVEWEGRSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2S/c25-18-3-1-15(2-4-18)21-13-16-10-12-28(24(30)22(16)31-21)20-7-5-19(6-8-20)27-23(29)17-9-11-26-14-17/h1-8,10,12-13,17,26H,9,11,14H2,(H,27,29).
What are the key properties of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide?
N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 86629215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).