N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide

C18H21ClN2OS — CID 120886368

IUPACN-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)N(CCN)CCc2ccccc2)c1
InChIInChI=1S/C18H21ClN2OS/c1-23-15-7-8-17(19)16(13-15)18(22)21(12-10-20)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,20H2,1H3
InChIKeyGHNXENJKPTYQGV-UHFFFAOYSA-N
MW348.90 g/mol
LogP3.71
Rot. Bonds7

About N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide

N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide (PubChem CID 120886368) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
PubChem CID120886368
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)N(CCN)CCc2ccccc2)c1
InChIInChI=1S/C18H21ClN2OS/c1-23-15-7-8-17(19)16(13-15)18(22)21(12-10-20)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,20H2,1H3
InChIKeyGHNXENJKPTYQGV-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886367
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
[2-oxo-2-(2-phenylethylamino)ethyl] 2-chloro-5-methylsulfanylbenzoate
CID 2346651
2-[(2-chloro-5-methylsulfanylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802576
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide (CID 120886368) is N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide is CSc1ccc(Cl)c(C(=O)N(CCN)CCc2ccccc2)c1.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide?
The InChIKey is GHNXENJKPTYQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-23-15-7-8-17(19)16(13-15)18(22)21(12-10-20)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,20H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide?
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide has a molecular weight of 348.90 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120886368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).