5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide

C24H27N3OS — CID 58866936

IUPAC5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESCNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C)c(C)c4)s3)cc2)C1
InChIInChI=1S/C24H27N3OS/c1-16-4-5-18(14-17(16)2)22-10-11-23(29-22)24(28)26-19-6-8-21(9-7-19)27-13-12-20(15-27)25-3/h4-11,14,20,25H,12-13,15H2,1-3H3,(H,26,28)
InChIKeyZPAJTCXCQWBDOZ-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.08
Rot. Bonds5

About 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide

5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 58866936) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID58866936
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESCNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C)c(C)c4)s3)cc2)C1
InChIInChI=1S/C24H27N3OS/c1-16-4-5-18(14-17(16)2)22-10-11-23(29-22)24(28)26-19-6-8-21(9-7-19)27-13-12-20(15-27)25-3/h4-11,14,20,25H,12-13,15H2,1-3H3,(H,26,28)
InChIKeyZPAJTCXCQWBDOZ-UHFFFAOYSA-N
XLogP5.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]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

5-[3-(dimethylcarbamoyl)phenyl]-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 58867268
N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-5-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 58866439
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
CID 13401836
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide
CID 58964248
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
[5-(3-methoxyphenyl)thiophen-2-yl]-[4-[3-(methylamino)pyrrolidin-1-yl]anilino]methanol
CID 142931301
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide
CID 58867743
1-(4-cyclopentyloxyphenyl)-3-[4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]urea
CID 67147888
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide (CID 58866936) is 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide is CNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C)c(C)c4)s3)cc2)C1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZPAJTCXCQWBDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-16-4-5-18(14-17(16)2)22-10-11-23(29-22)24(28)26-19-6-8-21(9-7-19)27-13-12-20(15-27)25-3/h4-11,14,20,25H,12-13,15H2,1-3H3,(H,26,28).
What are the key properties of 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide?
5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 405.57 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 58866936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).