5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C16H17F3N2O3S2 — CID 33248716

IUPAC5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C16H17F3N2O3S2/c1-26(23,24)21-8-7-13-5-6-14(25-13)15(22)20-10-11-3-2-4-12(9-11)16(17,18)19/h2-6,9,21H,7-8,10H2,1H3,(H,20,22)
InChIKeyDHFMRUPMBWFHQD-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.79
Rot. Bonds7

About 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 33248716) has the molecular formula C16H17F3N2O3S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID33248716
Molecular FormulaC16H17F3N2O3S2
Molecular Weight406.45 g/mol
Exact Mass406.06
IUPAC Name5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C16H17F3N2O3S2/c1-26(23,24)21-8-7-13-5-6-14(25-13)15(22)20-10-11-3-2-4-12(9-11)16(17,18)19/h2-6,9,21H,7-8,10H2,1H3,(H,20,22)
InChIKeyDHFMRUPMBWFHQD-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 30525669
5-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103232638
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 47043391
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 33248716) is 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is DHFMRUPMBWFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S2/c1-26(23,24)21-8-7-13-5-6-14(25-13)15(22)20-10-11-3-2-4-12(9-11)16(17,18)19/h2-6,9,21H,7-8,10H2,1H3,(H,20,22).
What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 33248716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).