N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C33H39F3N6O7S2 — CID 159032670

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cn1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C17H23N3O4S.C16H16F3N3O3S/c1-11-7-8-12(10-18-11)25(22,23)17(5,6)15(21)19-14-9-13(24-20-14)16(2,3)4;1-10-4-6-12(9-20-10)26(24,25)15(2,3)14(23)22-13-7-5-11(8-21-13)16(17,18)19/h7-10H,1-6H3,(H,19,20,21);4-9H,1-3H3,(H,21,22,23)
InChIKeyJVBMKGLIDZKHIB-UHFFFAOYSA-N
MW752.84 g/mol
LogP5.86
Rot. Bonds8

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 159032670) has the molecular formula C33H39F3N6O7S2 and a molecular weight of 752.84 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID159032670
Molecular FormulaC33H39F3N6O7S2
Molecular Weight752.84 g/mol
Exact Mass752.23
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cn1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C17H23N3O4S.C16H16F3N3O3S/c1-11-7-8-12(10-18-11)25(22,23)17(5,6)15(21)19-14-9-13(24-20-14)16(2,3)4;1-10-4-6-12(9-20-10)26(24,25)15(2,3)14(23)22-13-7-5-11(8-21-13)16(17,18)19/h7-10H,1-6H3,(H,19,20,21);4-9H,1-3H3,(H,21,22,23)
InChIKeyJVBMKGLIDZKHIB-UHFFFAOYSA-N
XLogP5.86
TPSA191.18 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.84
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198489
2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 24855970
2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24855875
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
CID 59662692
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 59703999
2-(4-cyanophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 88879379
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
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
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-cyano-2-fluorophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159912807

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 159032670) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cn1.Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2ccc(C(F)(F)F)cn2)cn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is JVBMKGLIDZKHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S.C16H16F3N3O3S/c1-11-7-8-12(10-18-11)25(22,23)17(5,6)15(21)19-14-9-13(24-20-14)16(2,3)4;1-10-4-6-12(9-20-10)26(24,25)15(2,3)14(23)22-13-7-5-11(8-21-13)16(17,18)19/h7-10H,1-6H3,(H,19,20,21);4-9H,1-3H3,(H,21,22,23).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 752.84 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 159032670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).