N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide

C18H22N2OS — CID 119509159

IUPACN-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCCNCCNC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-2-19-12-13-20-18(21)16-10-8-15(9-11-16)14-22-17-6-4-3-5-7-17/h3-11,19H,2,12-14H2,1H3,(H,20,21)
InChIKeyAJPCJPOYSAZEBW-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.32
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide

N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide (PubChem CID 119509159) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
PubChem CID119509159
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCCNCCNC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-2-19-12-13-20-18(21)16-10-8-15(9-11-16)14-22-17-6-4-3-5-7-17/h3-11,19H,2,12-14H2,1H3,(H,20,21)
InChIKeyAJPCJPOYSAZEBW-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
4-benzylsulfanyl-N-[3-(methylamino)propyl]benzamide
CID 119433476
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448903
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448902
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
CID 119629882
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide (CID 119509159) is N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide is CCNCCNC(=O)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is AJPCJPOYSAZEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-19-12-13-20-18(21)16-10-8-15(9-11-16)14-22-17-6-4-3-5-7-17/h3-11,19H,2,12-14H2,1H3,(H,20,21).
What are the key properties of N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide?
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 314.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 119509159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).