2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H17F3N2O4S — CID 1318352

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-22(27(24,25)13-9-7-12(26-2)8-10-13)11-16(23)21-15-6-4-3-5-14(15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeySCASZLCSYABLPV-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.97
Rot. Bonds6

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1318352) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1318352
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-22(27(24,25)13-9-7-12(26-2)8-10-13)11-16(23)21-15-6-4-3-5-14(15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeySCASZLCSYABLPV-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1318352) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SCASZLCSYABLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-22(27(24,25)13-9-7-12(26-2)8-10-13)11-16(23)21-15-6-4-3-5-14(15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1318352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).