N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide

C16H18N2OS — CID 79217340

IUPACN-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C16H18N2OS/c1-20-14-9-7-13(8-10-14)16(19)18-11-15(17)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3,(H,18,19)
InChIKeyMVPSRGFUOBZTAS-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.84
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide

N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide (PubChem CID 79217340) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
PubChem CID79217340
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C16H18N2OS/c1-20-14-9-7-13(8-10-14)16(19)18-11-15(17)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3,(H,18,19)
InChIKeyMVPSRGFUOBZTAS-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
N-(3-aminobutyl)-4-methylsulfanylbenzamide
CID 54425720
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119528189
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
N-(2,2-dimethoxyethyl)-4-methylsulfanylbenzamide
CID 79214484
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
dimethyl-[(2S)-2-[(4-methylsulfanylbenzoyl)amino]-2-phenylethyl]azanium
CID 8937909
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide (CID 79217340) is N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCC(N)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide?
The InChIKey is MVPSRGFUOBZTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-20-14-9-7-13(8-10-14)16(19)18-11-15(17)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide?
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide has a molecular weight of 286.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 79217340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).