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

C23H26FN3O3S — CID 55870430

IUPAC3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H26FN3O3S/c1-15-13-19(25-21(28)17-5-4-6-18(24)14-17)31-20(15)23(30)27-11-7-16(8-12-27)22(29)26-9-2-3-10-26/h4-6,13-14,16H,2-3,7-12H2,1H3,(H,25,28)
InChIKeyGYCITTZMLMSJCZ-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.92
Rot. Bonds4

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

3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide (PubChem CID 55870430) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
PubChem CID55870430
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H26FN3O3S/c1-15-13-19(25-21(28)17-5-4-6-18(24)14-17)31-20(15)23(30)27-11-7-16(8-12-27)22(29)26-9-2-3-10-26/h4-6,13-14,16H,2-3,7-12H2,1H3,(H,25,28)
InChIKeyGYCITTZMLMSJCZ-UHFFFAOYSA-N
XLogP3.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119375637
N-[5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119412139
N-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119519630
3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
CID 119545620
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 120819291
3-fluoro-N-[4-methyl-5-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide
CID 138994070
3-fluoro-N-[5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 112834301
3-fluoro-N-[4-methyl-5-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 119579397
3-fluoro-N-[5-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55828192
3-fluoro-N-[5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55917926
4-[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 119239290
3-fluoro-N-[5-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55877832

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide (CID 55870430) is 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The InChIKey is GYCITTZMLMSJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-15-13-19(25-21(28)17-5-4-6-18(24)14-17)31-20(15)23(30)27-11-7-16(8-12-27)22(29)26-9-2-3-10-26/h4-6,13-14,16H,2-3,7-12H2,1H3,(H,25,28).
What are the key properties of 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide has a molecular weight of 443.54 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 55870430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).