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

C19H22FN3O2S — CID 119651035

IUPAC3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCNCC1CCCN1C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C
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(23)11-21-2/h3,5-6,9-10,15,21H,4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyHNICEXMWCHECMV-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds5

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

3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide (PubChem CID 119651035) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide
PubChem CID119651035
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCNCC1CCCN1C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C
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(23)11-21-2/h3,5-6,9-10,15,21H,4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyHNICEXMWCHECMV-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
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
(S)-1-(5-(4-fluorophenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11349000
cis-5-chloro-N-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11408532
5-methyl-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 44432499
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(2-fluorophenyl)thiophen-2-yl)urea
CID 44560374
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-fluorophenyl)thiophen-2-yl)urea
CID 44560375

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide (CID 119651035) is 3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide is CNCC1CCCN1C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of 3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide?
The InChIKey is HNICEXMWCHECMV-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(23)11-21-2/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-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide?
3-fluoro-N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.27, 5 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-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 119651035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).