N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

C18H24F3N5O3S2 — CID 42972205

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Sc2nnc(C(F)(F)F)n2C)ccc1C
InChIInChI=1S/C18H24F3N5O3S2/c1-6-26(7-2)31(28,29)14-10-13(9-8-11(14)3)22-15(27)12(4)30-17-24-23-16(25(17)5)18(19,20)21/h8-10,12H,6-7H2,1-5H3,(H,22,27)
InChIKeyGELIBPBAMLCWBG-UHFFFAOYSA-N
MW479.55 g/mol
LogP3.29
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 42972205) has the molecular formula C18H24F3N5O3S2 and a molecular weight of 479.55 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID42972205
Molecular FormulaC18H24F3N5O3S2
Molecular Weight479.55 g/mol
Exact Mass479.13
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Sc2nnc(C(F)(F)F)n2C)ccc1C
InChIInChI=1S/C18H24F3N5O3S2/c1-6-26(7-2)31(28,29)14-10-13(9-8-11(14)3)22-15(27)12(4)30-17-24-23-16(25(17)5)18(19,20)21/h8-10,12H,6-7H2,1-5H3,(H,22,27)
InChIKeyGELIBPBAMLCWBG-UHFFFAOYSA-N
XLogP3.29
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4799552
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 25407940
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46540580
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 8706447
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989
(2R)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide
CID 7907611
(2S)-N-(2,4-dimethylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8937367
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 41101694
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26521141
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 42972205) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Sc2nnc(C(F)(F)F)n2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is GELIBPBAMLCWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O3S2/c1-6-26(7-2)31(28,29)14-10-13(9-8-11(14)3)22-15(27)12(4)30-17-24-23-16(25(17)5)18(19,20)21/h8-10,12H,6-7H2,1-5H3,(H,22,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 479.55 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 42972205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).