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

C20H23FN4O3S — CID 123545413

IUPAC5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(C(N)=O)c(NC(=O)c3ccccc3F)s2)CC1
InChIInChI=1S/C20H23FN4O3S/c1-24-9-7-12(8-10-24)25(2)20(28)16-11-14(17(22)26)19(29-16)23-18(27)13-5-3-4-6-15(13)21/h3-6,11-12H,7-10H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyUOLHJWHZYCOBBG-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.40
Rot. Bonds5

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

5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide (PubChem CID 123545413) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide
PubChem CID123545413
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(C(N)=O)c(NC(=O)c3ccccc3F)s2)CC1
InChIInChI=1S/C20H23FN4O3S/c1-24-9-7-12(8-10-24)25(2)20(28)16-11-14(17(22)26)19(29-16)23-18(27)13-5-3-4-6-15(13)21/h3-6,11-12H,7-10H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyUOLHJWHZYCOBBG-UHFFFAOYSA-N
XLogP2.40
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide with MolForge

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Related Compounds

2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 724147
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-{4,5-dimethyl-3-[(2-methyl-1-piperidinyl)methyl]-2-thienyl}-2-fluorobenzamide
CID 4395058
1-(3-Carbamoyl-5-(4-(piperidin-1-ylmethyl)phenyl)thiophen-2-yl)urea
CID 10109058
(S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(4-(piperidine-1-carbonyl)phenyl)thiophen-2-yl)urea
CID 11236402
(S)-1-(5-(4-fluorophenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11349000
1-(3-Carbamoyl-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)thiophen-2-yl)urea
CID 21914398

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide (CID 123545413) is 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide is CN1CCC(N(C)C(=O)c2cc(C(N)=O)c(NC(=O)c3ccccc3F)s2)CC1.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide?
The InChIKey is UOLHJWHZYCOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-24-9-7-12(8-10-24)25(2)20(28)16-11-14(17(22)26)19(29-16)23-18(27)13-5-3-4-6-15(13)21/h3-6,11-12H,7-10H2,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide?
5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide has a molecular weight of 418.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 123545413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).