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

C18H27ClN2OS2 — CID 119590390

IUPACN-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(C2SCCS2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2OS2.ClH/c19-12-16(13-4-2-1-3-5-13)20-17(21)14-6-8-15(9-7-14)18-22-10-11-23-18;/h6-9,13,16,18H,1-5,10-12,19H2,(H,20,21);1H
InChIKeyPPSVGAPMPKRDKY-UHFFFAOYSA-N
MW387.01 g/mol
LogP4.22
Rot. Bonds5

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

N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride (PubChem CID 119590390) has the molecular formula C18H27ClN2OS2 and a molecular weight of 387.01 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
PubChem CID119590390
Molecular FormulaC18H27ClN2OS2
Molecular Weight387.01 g/mol
Exact Mass386.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(C2SCCS2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2OS2.ClH/c19-12-16(13-4-2-1-3-5-13)20-17(21)14-6-8-15(9-7-14)18-22-10-11-23-18;/h6-9,13,16,18H,1-5,10-12,19H2,(H,20,21);1H
InChIKeyPPSVGAPMPKRDKY-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.01
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 36573754
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119590373
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119613592
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride (CID 119590390) is N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride is Cl.NCC(NC(=O)c1ccc(C2SCCS2)cc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
The InChIKey is PPSVGAPMPKRDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS2.ClH/c19-12-16(13-4-2-1-3-5-13)20-17(21)14-6-8-15(9-7-14)18-22-10-11-23-18;/h6-9,13,16,18H,1-5,10-12,19H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride has a molecular weight of 387.01 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119590390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).