3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide

C19H22FN3O2S — CID 119491827

IUPAC3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCNC1CCCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)C1
InChIInChI=1S/C19H22FN3O2S/c1-12-9-16(22-18(24)13-5-3-6-14(20)10-13)26-17(12)19(25)23-8-4-7-15(11-23)21-2/h3,5-6,9-10,15,21H,4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyHAEBSFFAAQHCCT-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds4

About 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide

3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide (PubChem CID 119491827) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide
PubChem CID119491827
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCNC1CCCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)C1
InChIInChI=1S/C19H22FN3O2S/c1-12-9-16(22-18(24)13-5-3-6-14(20)10-13)26-17(12)19(25)23-8-4-7-15(11-23)21-2/h3,5-6,9-10,15,21H,4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyHAEBSFFAAQHCCT-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 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide 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
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
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
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide (CID 119491827) is 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide is CNC1CCCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)C1.
What is the InChIKey of 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The InChIKey is HAEBSFFAAQHCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-12-9-16(22-18(24)13-5-3-6-14(20)10-13)26-17(12)19(25)23-8-4-7-15(11-23)21-2/h3,5-6,9-10,15,21H,4,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide 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 3-fluoro-N-[4-methyl-5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 119491827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).