3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C20H23F3N2O4S — CID 112763941

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-3-29-17-7-9-18(10-8-17)30(27,28)24-12-11-19(26)25-14(2)15-5-4-6-16(13-15)20(21,22)23/h4-10,13-14,24H,3,11-12H2,1-2H3,(H,25,26)
InChIKeyIEGMOATWLJOCEU-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.65
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 112763941) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID112763941
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-3-29-17-7-9-18(10-8-17)30(27,28)24-12-11-19(26)25-14(2)15-5-4-6-16(13-15)20(21,22)23/h4-10,13-14,24H,3,11-12H2,1-2H3,(H,25,26)
InChIKeyIEGMOATWLJOCEU-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763964
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51149160
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid
CID 119188454
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24616283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 112763941) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is IEGMOATWLJOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-3-29-17-7-9-18(10-8-17)30(27,28)24-12-11-19(26)25-14(2)15-5-4-6-16(13-15)20(21,22)23/h4-10,13-14,24H,3,11-12H2,1-2H3,(H,25,26).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 444.48 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 112763941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).