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

C16H18N2OS — CID 79217268

IUPACN-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-20-15-10-6-5-9-13(15)16(19)18-11-14(17)12-7-3-2-4-8-12/h2-10,14H,11,17H2,1H3,(H,18,19)
InChIKeyIVLRVNFALLDPMS-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.84
Rot. Bonds5

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

N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide (PubChem CID 79217268) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
PubChem CID79217268
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-20-15-10-6-5-9-13(15)16(19)18-11-14(17)12-7-3-2-4-8-12/h2-10,14H,11,17H2,1H3,(H,18,19)
InChIKeyIVLRVNFALLDPMS-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-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525363
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-methylsulfanylbenzamide
CID 79215523
N-(2-amino-2-phenylethyl)-2-nitrobenzamide
CID 63120393
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide (CID 79217268) is N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide?
The InChIKey is IVLRVNFALLDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-20-15-10-6-5-9-13(15)16(19)18-11-14(17)12-7-3-2-4-8-12/h2-10,14H,11,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide?
N-(2-amino-2-phenylethyl)-2-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)-2-methylsulfanylbenzamide is sourced from PubChem (CID 79217268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).