4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide

C15H21F2NOS — CID 134055978

IUPAC4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H21F2NOS/c1-10(2)4-5-11(3)18-14(19)12-6-8-13(9-7-12)20-15(16)17/h6-11,15H,4-5H2,1-3H3,(H,18,19)
InChIKeyZCAOTUQMAYRYIB-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.56
Rot. Bonds7

About 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide

4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide (PubChem CID 134055978) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
PubChem CID134055978
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H21F2NOS/c1-10(2)4-5-11(3)18-14(19)12-6-8-13(9-7-12)20-15(16)17/h6-11,15H,4-5H2,1-3H3,(H,18,19)
InChIKeyZCAOTUQMAYRYIB-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 119221139
2-[[4-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 119225433
4-(difluoromethylsulfanyl)-N-(3-hydroxybutyl)benzamide
CID 111429189
4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 24617681
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 25440540
N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119666969
N-(4-hydroxybutan-2-yl)-4-methylsulfanylbenzamide
CID 81043332
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400
4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253
3-[4-(5-methylhexan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 77013119
1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117334188

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide (CID 134055978) is 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide is CC(C)CCC(C)NC(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide?
The InChIKey is ZCAOTUQMAYRYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-10(2)4-5-11(3)18-14(19)12-6-8-13(9-7-12)20-15(16)17/h6-11,15H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide?
4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide has a molecular weight of 301.40 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide is sourced from PubChem (CID 134055978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).