5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C19H22FN3O2S — CID 78901503

IUPAC5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C19H22FN3O2S/c1-12-10-16(22-18(24)13-4-3-5-14(20)11-13)26-17(12)19(25)21-15-6-8-23(2)9-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyXBTSOMSANLBZKU-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds4

About 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 78901503) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID78901503
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C19H22FN3O2S/c1-12-10-16(22-18(24)13-4-3-5-14(20)11-13)26-17(12)19(25)21-15-6-8-23(2)9-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyXBTSOMSANLBZKU-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)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

Azd7762
CID 11152667
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-2-thiophenecarboxamide
CID 4204024
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
1-[3-Fluoro-4-[3-methyl-4-(2-thienylcarbonyl)-1-piperazinyl]phenyl]ethanone
CID 2939373
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 78901503) is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1CCN(C)CC1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is XBTSOMSANLBZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-12-10-16(22-18(24)13-4-3-5-14(20)11-13)26-17(12)19(25)21-15-6-8-23(2)9-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78901503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).