3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide

C21H23F3N2O5S — CID 30177375

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F3N2O5S/c1-15(27)18-6-8-19(9-7-18)32(29,30)26-11-10-20(28)25-12-16-2-4-17(5-3-16)13-31-14-21(22,23)24/h2-9,26H,10-14H2,1H3,(H,25,28)
InChIKeyMWCSBLLKDPMBGC-UHFFFAOYSA-N
MW472.49 g/mol
LogP2.95
Rot. Bonds11

About 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide (PubChem CID 30177375) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
PubChem CID30177375
Molecular FormulaC21H23F3N2O5S
Molecular Weight472.49 g/mol
Exact Mass472.13
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F3N2O5S/c1-15(27)18-6-8-19(9-7-18)32(29,30)26-11-10-20(28)25-12-16-2-4-17(5-3-16)13-31-14-21(22,23)24/h2-9,26H,10-14H2,1H3,(H,25,28)
InChIKeyMWCSBLLKDPMBGC-UHFFFAOYSA-N
XLogP2.95
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 25403468
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55587041
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
tert-butyl N-[4-oxo-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butyl]carbamate
CID 55527464
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138
4-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636112

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide (CID 30177375) is 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is MWCSBLLKDPMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5S/c1-15(27)18-6-8-19(9-7-18)32(29,30)26-11-10-20(28)25-12-16-2-4-17(5-3-16)13-31-14-21(22,23)24/h2-9,26H,10-14H2,1H3,(H,25,28).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 472.49 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 30177375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).