N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide

C22H25FN2O3S — CID 46059752

IUPACN-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide
SMILESO=C(c1cccs1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C22H25FN2O3S/c23-17-9-7-16(8-10-17)21(26)25(18-4-1-2-5-18)15-19-14-24(11-12-28-19)22(27)20-6-3-13-29-20/h3,6-10,13,18-19H,1-2,4-5,11-12,14-15H2
InChIKeyDKNOKJLAEJDMSD-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.81
Rot. Bonds5

About N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide

N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide (PubChem CID 46059752) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide
PubChem CID46059752
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide
SMILESO=C(c1cccs1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C22H25FN2O3S/c23-17-9-7-16(8-10-17)21(26)25(18-4-1-2-5-18)15-19-14-24(11-12-28-19)22(27)20-6-3-13-29-20/h3,6-10,13,18-19H,1-2,4-5,11-12,14-15H2
InChIKeyDKNOKJLAEJDMSD-UHFFFAOYSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide with MolForge

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Related Compounds

N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[2-[(4-Fluorophenyl)methylsulfanyl]phenyl]-morpholin-4-ylmethanone
CID 778212
N-[1-(Morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2262661
3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909953
5-(4-Fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-YL)ethyl]-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
CID 2910300
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2998722
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2-fluorobenzamide
CID 3236467
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302
5-acetyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-thiophenecarboxamide
CID 24791102
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 168273424
N-[1-(3-Morpholin-4-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2891613

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide (CID 46059752) is N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide is O=C(c1cccs1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is DKNOKJLAEJDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c23-17-9-7-16(8-10-17)21(26)25(18-4-1-2-5-18)15-19-14-24(11-12-28-19)22(27)20-6-3-13-29-20/h3,6-10,13,18-19H,1-2,4-5,11-12,14-15H2.
What are the key properties of N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide?
N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 46059752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).