N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C17H17F3N2O4S — CID 112768427

IUPACN-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCOc1cccc(NC(=O)C(C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3N2O4S/c1-11(16(23)21-13-6-4-7-14(10-13)26-2)22-27(24,25)15-8-3-5-12(9-15)17(18,19)20/h3-11,22H,1-2H3,(H,21,23)
InChIKeyMEDMFBDDZQTLFJ-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.02
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 112768427) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID112768427
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCOc1cccc(NC(=O)C(C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3N2O4S/c1-11(16(23)21-13-6-4-7-14(10-13)26-2)22-27(24,25)15-8-3-5-12(9-15)17(18,19)20/h3-11,22H,1-2H3,(H,21,23)
InChIKeyMEDMFBDDZQTLFJ-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838862
(2R)-2-(3-methoxyphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 99957789
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 28549200
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838427
1-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 976911
[3-(trifluoromethyl)phenyl]methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927693

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 112768427) is N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is COc1cccc(NC(=O)C(C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is MEDMFBDDZQTLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-11(16(23)21-13-6-4-7-14(10-13)26-2)22-27(24,25)15-8-3-5-12(9-15)17(18,19)20/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 402.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 112768427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).