N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride

C16H25ClN2OS2 — CID 119607023

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(C2SCCS2)cc1.Cl
InChIInChI=1S/C16H24N2OS2.ClH/c1-11(2)16(3,10-17)18-14(19)12-4-6-13(7-5-12)15-20-8-9-21-15;/h4-7,11,15H,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeyOWWKBDNOBXAWTB-UHFFFAOYSA-N
MW360.98 g/mol
LogP3.69
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride (PubChem CID 119607023) has the molecular formula C16H25ClN2OS2 and a molecular weight of 360.98 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
PubChem CID119607023
Molecular FormulaC16H25ClN2OS2
Molecular Weight360.98 g/mol
Exact Mass360.11
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(C2SCCS2)cc1.Cl
InChIInChI=1S/C16H24N2OS2.ClH/c1-11(2)16(3,10-17)18-14(19)12-4-6-13(7-5-12)15-20-8-9-21-15;/h4-7,11,15H,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeyOWWKBDNOBXAWTB-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.98
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-2-methylbutanoic acid
CID 119199136
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104
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-(difluoromethylsulfanyl)benzamide
CID 119607400
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119607207
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride (CID 119607023) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(C2SCCS2)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
The InChIKey is OWWKBDNOBXAWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2.ClH/c1-11(2)16(3,10-17)18-14(19)12-4-6-13(7-5-12)15-20-8-9-21-15;/h4-7,11,15H,8-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride has a molecular weight of 360.98 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119607023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).