N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide

C16H19FN2O3S2 — CID 7254347

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2O3S2/c1-16(2,3)13-10-23-15(18-13)19-14(20)8-9-24(21,22)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyHZZGLEIBBXTAEL-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.38
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 7254347) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID7254347
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2O3S2/c1-16(2,3)13-10-23-15(18-13)19-14(20)8-9-24(21,22)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyHZZGLEIBBXTAEL-UHFFFAOYSA-N
XLogP3.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
CID 86899870
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 7544319
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151739
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 18589698
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7524891
3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 86942122
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide (CID 7254347) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide is CC(C)(C)c1csc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is HZZGLEIBBXTAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c1-16(2,3)13-10-23-15(18-13)19-14(20)8-9-24(21,22)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 7254347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).