3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide

C14H17F3N2O4S — CID 170102245

IUPAC3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC=CS(=O)(=O)N(C)CCC(=O)N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4S/c1-4-24(21,22)18(2)10-9-13(20)19(3)11-5-7-12(8-6-11)23-14(15,16)17/h4-8H,1,9-10H2,2-3H3
InChIKeyLXTANOZZKUBQTA-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.34
Rot. Bonds7

About 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide

3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 170102245) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID170102245
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC=CS(=O)(=O)N(C)CCC(=O)N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4S/c1-4-24(21,22)18(2)10-9-13(20)19(3)11-5-7-12(8-6-11)23-14(15,16)17/h4-8H,1,9-10H2,2-3H3
InChIKeyLXTANOZZKUBQTA-UHFFFAOYSA-N
XLogP2.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide
CID 170103356
3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 96676188
(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane
CID 176922237
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1261087
N-[(2Z)-4,5-dimethylhexa-2,4-dien-2-yl]-N-methyl-4-(trifluoromethoxy)aniline
CID 145347468
N-[(2Z,4Z)-4-bromo-5-methylhepta-2,4-dien-2-yl]-N-methyl-4-(trifluoromethoxy)aniline;ethane
CID 176921158
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
3-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-N-methyl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanamide
CID 162600363
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
(3R)-3-(ethenylsulfonylamino)-N-[4-(2-fluoropropan-2-yloxy)phenyl]-N-methylpiperidine-1-carboxamide
CID 170102287

Frequently Asked Questions

What is the IUPAC name of 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 170102245) is 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide is C=CS(=O)(=O)N(C)CCC(=O)N(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is LXTANOZZKUBQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-4-24(21,22)18(2)10-9-13(20)19(3)11-5-7-12(8-6-11)23-14(15,16)17/h4-8H,1,9-10H2,2-3H3.
What are the key properties of 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 366.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 170102245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).