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

C21H19F2N3O3S2 — CID 39299392

IUPAC3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H19F2N3O3S2/c22-17-9-8-13(11-18(17)23)19-12-30-21(24-19)25-20(27)14-4-3-7-16(10-14)31(28,29)26-15-5-1-2-6-15/h3-4,7-12,15,26H,1-2,5-6H2,(H,24,25,27)
InChIKeyRNVBMAUUDNDUBO-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.56
Rot. Bonds6

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

3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 39299392) has the molecular formula C21H19F2N3O3S2 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID39299392
Molecular FormulaC21H19F2N3O3S2
Molecular Weight463.53 g/mol
Exact Mass463.08
IUPAC Name3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H19F2N3O3S2/c22-17-9-8-13(11-18(17)23)19-12-30-21(24-19)25-20(27)14-4-3-7-16(10-14)31(28,29)26-15-5-1-2-6-15/h3-4,7-12,15,26H,1-2,5-6H2,(H,24,25,27)
InChIKeyRNVBMAUUDNDUBO-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-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 39299563
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
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 39299392) is 3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RNVBMAUUDNDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S2/c22-17-9-8-13(11-18(17)23)19-12-30-21(24-19)25-20(27)14-4-3-7-16(10-14)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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
3-(cyclopentylsulfamoyl)-N-[4-(3,4-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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 39299392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).