N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide

C24H24N2O2S — CID 78817110

IUPACN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C24H24N2O2S/c1-25(17-18-9-2-5-12-21(18)26-14-6-7-15-26)24(28)20-11-4-3-10-19(20)23(27)22-13-8-16-29-22/h2-5,8-13,16H,6-7,14-15,17H2,1H3
InChIKeyCACKJESZFQDLNT-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.85
Rot. Bonds6

About N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide

N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 78817110) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID78817110
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C24H24N2O2S/c1-25(17-18-9-2-5-12-21(18)26-14-6-7-15-26)24(28)20-11-4-3-10-19(20)23(27)22-13-8-16-29-22/h2-5,8-13,16H,6-7,14-15,17H2,1H3
InChIKeyCACKJESZFQDLNT-UHFFFAOYSA-N
XLogP4.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51233336
N-methyl-2-(thiophene-2-carbonyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38274579
N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51257189
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
CID 55822528
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
(2S)-2-methyl-3-[methyl-[2-(thiophene-2-carbonyl)benzoyl]amino]propanoic acid
CID 100641723
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
2-chloro-N-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551605
4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551575
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide (CID 78817110) is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is CACKJESZFQDLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-25(17-18-9-2-5-12-21(18)26-14-6-7-15-26)24(28)20-11-4-3-10-19(20)23(27)22-13-8-16-29-22/h2-5,8-13,16H,6-7,14-15,17H2,1H3.
What are the key properties of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 404.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 78817110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).