N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride

C16H27ClN2OS — CID 119642500

IUPACN-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SC(C)C.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-5-16(17,6-2)11-18-15(19)13-9-7-8-10-14(13)20-12(3)4;/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19);1H
InChIKeyWFPYXCVQVDPSEF-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.86
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride (PubChem CID 119642500) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride
PubChem CID119642500
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SC(C)C.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-5-16(17,6-2)11-18-15(19)13-9-7-8-10-14(13)20-12(3)4;/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19);1H
InChIKeyWFPYXCVQVDPSEF-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119639773
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N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
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N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
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N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
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N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride (CID 119642500) is N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccccc1SC(C)C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride?
The InChIKey is WFPYXCVQVDPSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-5-16(17,6-2)11-18-15(19)13-9-7-8-10-14(13)20-12(3)4;/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119642500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).