3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

C19H17F3N2O2S — CID 51337522

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)11-27-16-7-2-1-6-15(16)24-18(26)13-4-3-5-14(10-13)23-17(25)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,23,25)(H,24,26)
InChIKeyAZSVSFCFFOXZCK-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.94
Rot. Bonds6

About 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (PubChem CID 51337522) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
PubChem CID51337522
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)11-27-16-7-2-1-6-15(16)24-18(26)13-4-3-5-14(10-13)23-17(25)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,23,25)(H,24,26)
InChIKeyAZSVSFCFFOXZCK-UHFFFAOYSA-N
XLogP4.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide 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-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 31801212
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 31444384
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (CID 51337522) is 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCC(F)(F)F)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The InChIKey is AZSVSFCFFOXZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c20-19(21,22)11-27-16-7-2-1-6-15(16)24-18(26)13-4-3-5-14(10-13)23-17(25)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,23,25)(H,24,26).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide has a molecular weight of 394.42 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 51337522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).