3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

C23H21F3N2O4S — CID 2097220

IUPAC3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-17-7-13-21(14-8-17)33(30,31)28(19-5-3-2-4-6-19)16-15-22(29)27-18-9-11-20(12-10-18)32-23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyWUERMJYPIMNGLP-UHFFFAOYSA-N
MW478.49 g/mol
LogP5.12
Rot. Bonds8

About 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 2097220) has the molecular formula C23H21F3N2O4S and a molecular weight of 478.49 g/mol. Its IUPAC name is 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID2097220
Molecular FormulaC23H21F3N2O4S
Molecular Weight478.49 g/mol
Exact Mass478.12
IUPAC Name3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-17-7-13-21(14-8-17)33(30,31)28(19-5-3-2-4-6-19)16-15-22(29)27-18-9-11-20(12-10-18)32-23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyWUERMJYPIMNGLP-UHFFFAOYSA-N
XLogP5.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Tosylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780576
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
({[4-(Difluoromethoxy)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815191
N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3238534
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
N-(3-((4-ethoxyphenyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585954
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1009982
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-(phenylcarbamoylamino)phenyl]sulfonylamino]propanamide
CID 9849291
1-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16031528

Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 2097220) is 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1.
What is the InChIKey of 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is WUERMJYPIMNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S/c1-17-7-13-21(14-8-17)33(30,31)28(19-5-3-2-4-6-19)16-15-22(29)27-18-9-11-20(12-10-18)32-23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29).
What are the key properties of 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 478.49 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 2097220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).