2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C30H28F6N4O6S3 — CID 157281303

IUPAC2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccccc1.CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15F3N2O3S.C14H13F3N2O3S2/c1-15(2,25(23,24)12-6-4-3-5-7-12)14(22)21-13-9-8-11(10-20-13)16(17,18)19;1-13(2,24(21,22)9-6-4-3-5-7-9)11(20)19-12-18-10(8-23-12)14(15,16)17/h3-10H,1-2H3,(H,20,21,22);3-8H,1-2H3,(H,18,19,20)
InChIKeyAZRSTBMLADOCSN-UHFFFAOYSA-N
MW750.77 g/mol
LogP6.64
Rot. Bonds8

About 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 157281303) has the molecular formula C30H28F6N4O6S3 and a molecular weight of 750.77 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID157281303
Molecular FormulaC30H28F6N4O6S3
Molecular Weight750.77 g/mol
Exact Mass750.11
IUPAC Name2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccccc1.CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15F3N2O3S.C14H13F3N2O3S2/c1-15(2,25(23,24)12-6-4-3-5-7-12)14(22)21-13-9-8-11(10-20-13)16(17,18)19;1-13(2,24(21,22)9-6-4-3-5-7-9)11(20)19-12-18-10(8-23-12)14(15,16)17/h3-10H,1-2H3,(H,20,21,22);3-8H,1-2H3,(H,18,19,20)
InChIKeyAZRSTBMLADOCSN-UHFFFAOYSA-N
XLogP6.64
TPSA152.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.77
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159303314
2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 24855970
2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198489
2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24855875
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863556
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 161100841
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 59703999
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide
CID 159459316
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 59662671
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 59662703
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159006128

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 157281303) is 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccccc1.CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is AZRSTBMLADOCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S.C14H13F3N2O3S2/c1-15(2,25(23,24)12-6-4-3-5-7-12)14(22)21-13-9-8-11(10-20-13)16(17,18)19;1-13(2,24(21,22)9-6-4-3-5-7-9)11(20)19-12-18-10(8-23-12)14(15,16)17/h3-10H,1-2H3,(H,20,21,22);3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 750.77 g/mol, XLogP of 6.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 157281303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).