N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide

C14H20F2N2OS — CID 119607400

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C14H20F2N2OS/c1-9(2)14(3,8-17)18-12(19)10-4-6-11(7-5-10)20-13(15)16/h4-7,9,13H,8,17H2,1-3H3,(H,18,19)
InChIKeyATVZTVQMDIVSRC-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.10
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide (PubChem CID 119607400) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
PubChem CID119607400
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C14H20F2N2OS/c1-9(2)14(3,8-17)18-12(19)10-4-6-11(7-5-10)20-13(15)16/h4-7,9,13H,8,17H2,1-3H3,(H,18,19)
InChIKeyATVZTVQMDIVSRC-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119607870
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119607023
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113265798

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide (CID 119607400) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide is CC(C)C(C)(CN)NC(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is ATVZTVQMDIVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c1-9(2)14(3,8-17)18-12(19)10-4-6-11(7-5-10)20-13(15)16/h4-7,9,13H,8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 302.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 119607400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).