N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide

C16H26N2OS — CID 119643680

IUPACN-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C16H26N2OS/c1-5-16(17,6-2)11-18-15(19)13-7-9-14(10-8-13)20-12(3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeyIRGCHEHVSDPUMI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.43
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide

N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 119643680) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide
PubChem CID119643680
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C16H26N2OS/c1-5-16(17,6-2)11-18-15(19)13-7-9-14(10-8-13)20-12(3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeyIRGCHEHVSDPUMI-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 119642500
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
CID 119644057
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
N-[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamoyl bromide
CID 115194275
N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119641381
N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide
CID 55835118
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide (CID 119643680) is N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide is CCC(N)(CC)CNC(=O)c1ccc(SC(C)C)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide?
The InChIKey is IRGCHEHVSDPUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-16(17,6-2)11-18-15(19)13-7-9-14(10-8-13)20-12(3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide?
N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 294.46 g/mol, XLogP of 3.43, 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)-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 119643680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).