N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide

C19H19F3N2O2S — CID 55608407

IUPACN-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2S/c1-12(2)11-17(25)23-13-7-9-14(10-8-13)24-18(26)15-5-3-4-6-16(15)27-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQKCNVWYKFQGJPQ-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.54
Rot. Bonds6

About N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide

N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55608407) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55608407
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2S/c1-12(2)11-17(25)23-13-7-9-14(10-8-13)24-18(26)15-5-3-4-6-16(15)27-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQKCNVWYKFQGJPQ-UHFFFAOYSA-N
XLogP5.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)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

N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604501
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55880032
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 60556371
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-[[2-(3-methylbutanoylamino)benzoyl]amino]benzoate
CID 4050066
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
CID 134002839
2-bromo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide
CID 17194261
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 39568217
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide (CID 55608407) is N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is QKCNVWYKFQGJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-12(2)11-17(25)23-13-7-9-14(10-8-13)24-18(26)15-5-3-4-6-16(15)27-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 396.43 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55608407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).