(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide

C17H17F3N2O3S — CID 1378166

IUPAC(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-11-6-8-15(9-7-11)26(24,25)22-12(2)16(23)21-14-5-3-4-13(10-14)17(18,19)20/h3-10,12,22H,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyQQLTXCQTIMSIBN-GFCCVEGCSA-N
MW386.40 g/mol
LogP3.32
Rot. Bonds5

About (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide

(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 1378166) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID1378166
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-11-6-8-15(9-7-11)26(24,25)22-12(2)16(23)21-14-5-3-4-13(10-14)17(18,19)20/h3-10,12,22H,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyQQLTXCQTIMSIBN-GFCCVEGCSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596522
N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 112768427
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2768785
2-[(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2841182
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
4-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4002239
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 1378166) is (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QQLTXCQTIMSIBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-11-6-8-15(9-7-11)26(24,25)22-12(2)16(23)21-14-5-3-4-13(10-14)17(18,19)20/h3-10,12,22H,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 386.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 1378166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).