N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C23H23N3O2S — CID 46563897

IUPACN-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H23N3O2S/c1-16-14-19(26-11-2-3-12-26)9-10-20(16)25-22(27)17-6-4-7-18(15-17)24-23(28)21-8-5-13-29-21/h4-10,13-15H,2-3,11-12H2,1H3,(H,24,28)(H,25,27)
InChIKeyDJJIBZNOJSAZDK-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.16
Rot. Bonds5

About N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 46563897) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID46563897
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H23N3O2S/c1-16-14-19(26-11-2-3-12-26)9-10-20(16)25-22(27)17-6-4-7-18(15-17)24-23(28)21-8-5-13-29-21/h4-10,13-15H,2-3,11-12H2,1H3,(H,24,28)(H,25,27)
InChIKeyDJJIBZNOJSAZDK-UHFFFAOYSA-N
XLogP5.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-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-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
N-[3-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56556230
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 110361789
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 166217861
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 46563897) is N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is DJJIBZNOJSAZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-14-19(26-11-2-3-12-26)9-10-20(16)25-22(27)17-6-4-7-18(15-17)24-23(28)21-8-5-13-29-21/h4-10,13-15H,2-3,11-12H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46563897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).