N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride

C16H19ClN2O2S — CID 119508490

IUPACN-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1C(=O)c1cccs1.Cl
InChIInChI=1S/C16H18N2O2S.ClH/c1-2-17-9-10-18-16(20)13-7-4-3-6-12(13)15(19)14-8-5-11-21-14;/h3-8,11,17H,2,9-10H2,1H3,(H,18,20);1H
InChIKeyCCMFWEKSBPHZQM-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride (PubChem CID 119508490) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
PubChem CID119508490
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1C(=O)c1cccs1.Cl
InChIInChI=1S/C16H18N2O2S.ClH/c1-2-17-9-10-18-16(20)13-7-4-3-6-12(13)15(19)14-8-5-11-21-14;/h3-8,11,17H,2,9-10H2,1H3,(H,18,20);1H
InChIKeyCCMFWEKSBPHZQM-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.74
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)ethyl]thiophene-2-carboxamide
CID 62657845
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9404427
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 46635222
N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 111446061

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride (CID 119508490) is N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride is CCNCCNC(=O)c1ccccc1C(=O)c1cccs1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
The InChIKey is CCMFWEKSBPHZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S.ClH/c1-2-17-9-10-18-16(20)13-7-4-3-6-12(13)15(19)14-8-5-11-21-14;/h3-8,11,17H,2,9-10H2,1H3,(H,18,20);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 2.74, 7 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-(thiophene-2-carbonyl)benzamide;hydrochloride is sourced from PubChem (CID 119508490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).