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

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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).