N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride

C16H21ClN2OS2 — CID 119506712

IUPACN-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1SCc1cccs1.Cl
InChIInChI=1S/C16H20N2OS2.ClH/c1-2-17-9-10-18-16(19)14-7-3-4-8-15(14)21-12-13-6-5-11-20-13;/h3-8,11,17H,2,9-10,12H2,1H3,(H,18,19);1H
InChIKeyOSFXZMDYSGPFTM-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride (PubChem CID 119506712) has the molecular formula C16H21ClN2OS2 and a molecular weight of 356.94 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
PubChem CID119506712
Molecular FormulaC16H21ClN2OS2
Molecular Weight356.94 g/mol
Exact Mass356.08
IUPAC NameN-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1SCc1cccs1.Cl
InChIInChI=1S/C16H20N2OS2.ClH/c1-2-17-9-10-18-16(19)14-7-3-4-8-15(14)21-12-13-6-5-11-20-13;/h3-8,11,17H,2,9-10,12H2,1H3,(H,18,19);1H
InChIKeyOSFXZMDYSGPFTM-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34732993
N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119508490
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55504936
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55979886
N-[2-(ethylamino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 119507987

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride (CID 119506712) is N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride is CCNCCNC(=O)c1ccccc1SCc1cccs1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
The InChIKey is OSFXZMDYSGPFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2.ClH/c1-2-17-9-10-18-16(19)14-7-3-4-8-15(14)21-12-13-6-5-11-20-13;/h3-8,11,17H,2,9-10,12H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride is sourced from PubChem (CID 119506712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).