N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide

C18H22N2OS — CID 119629882

IUPACN-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
SMILESCC(C)(N)CNC(=O)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-18(2,19)13-20-17(21)15-8-10-16(11-9-15)22-12-14-6-4-3-5-7-14/h3-11H,12-13,19H2,1-2H3,(H,20,21)
InChIKeyWZDLDOYYDMYWSL-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.45
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide

N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide (PubChem CID 119629882) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
PubChem CID119629882
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
SMILESCC(C)(N)CNC(=O)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-18(2,19)13-20-17(21)15-8-10-16(11-9-15)22-12-14-6-4-3-5-7-14/h3-11H,12-13,19H2,1-2H3,(H,20,21)
InChIKeyWZDLDOYYDMYWSL-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 119628946
4-benzylsulfanyl-N-[3-(methylamino)propyl]benzamide
CID 119433476
N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
CID 119995528
4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447030
N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride
CID 119628783
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660
2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide
CID 151945338
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
S-(4-benzylsulfanylphenyl) carbamothioate
CID 145451020
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide (CID 119629882) is N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide is CC(C)(N)CNC(=O)c1ccc(SCc2ccccc2)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide?
The InChIKey is WZDLDOYYDMYWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-18(2,19)13-20-17(21)15-8-10-16(11-9-15)22-12-14-6-4-3-5-7-14/h3-11H,12-13,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide?
N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide has a molecular weight of 314.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide is sourced from PubChem (CID 119629882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).