2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide

C25H25F3N2O4S — CID 2128211

IUPAC2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide
SMILESCOc1ccc(N(CC(=O)N(c2ccccc2)C(C)C)S(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N2O4S/c1-18(2)30(20-9-5-4-6-10-20)24(31)17-29(19-13-15-21(34-3)16-14-19)35(32,33)23-12-8-7-11-22(23)25(26,27)28/h4-16,18H,17H2,1-3H3
InChIKeyUPXVBCAMKGEREQ-UHFFFAOYSA-N
MW506.55 g/mol
LogP5.35
Rot. Bonds8

About 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide

2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 2128211) has the molecular formula C25H25F3N2O4S and a molecular weight of 506.55 g/mol. Its IUPAC name is 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide
PubChem CID2128211
Molecular FormulaC25H25F3N2O4S
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC Name2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide
SMILESCOc1ccc(N(CC(=O)N(c2ccccc2)C(C)C)S(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N2O4S/c1-18(2)30(20-9-5-4-6-10-20)24(31)17-29(19-13-15-21(34-3)16-14-19)35(32,33)23-12-8-7-11-22(23)25(26,27)28/h4-16,18H,17H2,1-3H3
InChIKeyUPXVBCAMKGEREQ-UHFFFAOYSA-N
XLogP5.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methylsulfonyl-[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]benzoate
CID 56539379
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2279954
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902133
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-tert-butylpropanamide
CID 132742678
N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 132742681
(2R)-2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-benzylamino]-N-propan-2-ylpropanamide
CID 125050524
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132735482
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-benzylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195154
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide (CID 2128211) is 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide is COc1ccc(N(CC(=O)N(c2ccccc2)C(C)C)S(=O)(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is UPXVBCAMKGEREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O4S/c1-18(2)30(20-9-5-4-6-10-20)24(31)17-29(19-13-15-21(34-3)16-14-19)35(32,33)23-12-8-7-11-22(23)25(26,27)28/h4-16,18H,17H2,1-3H3.
What are the key properties of 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide?
2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 506.55 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylanilino)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 2128211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).