2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

C18H17F3N2O3S2 — CID 50839536

IUPAC2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C18H17F3N2O3S2/c1-10-4-6-13(7-5-10)9-22-28(24,25)17-12(3)27-11(2)16(17)14-8-15(26-23-14)18(19,20)21/h4-8,22H,9H2,1-3H3
InChIKeyGWRPWPFECLNJBV-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.83
Rot. Bonds5

About 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (PubChem CID 50839536) has the molecular formula C18H17F3N2O3S2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
PubChem CID50839536
Molecular FormulaC18H17F3N2O3S2
Molecular Weight430.47 g/mol
Exact Mass430.06
IUPAC Name2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C18H17F3N2O3S2/c1-10-4-6-13(7-5-10)9-22-28(24,25)17-12(3)27-11(2)16(17)14-8-15(26-23-14)18(19,20)21/h4-8,22H,9H2,1-3H3
InChIKeyGWRPWPFECLNJBV-UHFFFAOYSA-N
XLogP4.83
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839413
N-(2,3-dimethylphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839429
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839615
N-(2-methoxyphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839452
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 50842741
2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840224
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509
N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935961
N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935956
2-methyl-4-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53094982
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (CID 50839536) is 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is Cc1ccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1.
What is the InChIKey of 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is GWRPWPFECLNJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S2/c1-10-4-6-13(7-5-10)9-22-28(24,25)17-12(3)27-11(2)16(17)14-8-15(26-23-14)18(19,20)21/h4-8,22H,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 430.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 50839536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).