4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide

C17H18FN3O2S — CID 11314022

IUPAC4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(CC1CCCC1)Nc1ccc(C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C17H18FN3O2S/c18-13-10-12(16(23)21-17-19-7-8-24-17)5-6-14(13)20-15(22)9-11-3-1-2-4-11/h5-8,10-11H,1-4,9H2,(H,20,22)(H,19,21,23)
InChIKeyBIFMIPCOWHTJIK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.05
Rot. Bonds5

About 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide

4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11314022) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11314022
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(CC1CCCC1)Nc1ccc(C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C17H18FN3O2S/c18-13-10-12(16(23)21-17-19-7-8-24-17)5-6-14(13)20-15(22)9-11-3-1-2-4-11/h5-8,10-11H,1-4,9H2,(H,20,22)(H,19,21,23)
InChIKeyBIFMIPCOWHTJIK-UHFFFAOYSA-N
XLogP4.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide
CID 103163742
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47334895
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 652627
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
2-cyclohexyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 1369561
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 51079266
3,5-difluoro-4-hydrazinyl-N-(1,3-thiazol-2-yl)benzamide
CID 63186769
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide (CID 11314022) is 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide is O=C(CC1CCCC1)Nc1ccc(C(=O)Nc2nccs2)cc1F.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BIFMIPCOWHTJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-13-10-12(16(23)21-17-19-7-8-24-17)5-6-14(13)20-15(22)9-11-3-1-2-4-11/h5-8,10-11H,1-4,9H2,(H,20,22)(H,19,21,23).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide?
4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11314022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).