3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

C21H19F2N3O3S2 — CID 39299563

IUPAC3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H19F2N3O3S2/c22-14-8-9-18(23)17(11-14)19-12-30-21(24-19)25-20(27)13-4-3-7-16(10-13)31(28,29)26-15-5-1-2-6-15/h3-4,7-12,15,26H,1-2,5-6H2,(H,24,25,27)
InChIKeyJYEJEXNGMXMKOU-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.56
Rot. Bonds6

About 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 39299563) has the molecular formula C21H19F2N3O3S2 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID39299563
Molecular FormulaC21H19F2N3O3S2
Molecular Weight463.53 g/mol
Exact Mass463.08
IUPAC Name3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H19F2N3O3S2/c22-14-8-9-18(23)17(11-14)19-12-30-21(24-19)25-20(27)13-4-3-7-16(10-13)31(28,29)26-15-5-1-2-6-15/h3-4,7-12,15,26H,1-2,5-6H2,(H,24,25,27)
InChIKeyJYEJEXNGMXMKOU-UHFFFAOYSA-N
XLogP4.56
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 39299392
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4854454
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 39299563) is 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JYEJEXNGMXMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S2/c22-14-8-9-18(23)17(11-14)19-12-30-21(24-19)25-20(27)13-4-3-7-16(10-13)31(28,29)26-15-5-1-2-6-15/h3-4,7-12,15,26H,1-2,5-6H2,(H,24,25,27).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 463.53 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 39299563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).