N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide

C17H21ClN2O2S — CID 87040672

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCCN(C)C)c1ccc(Cl)s1
InChIInChI=1S/C17H21ClN2O2S/c1-12(15-8-9-16(18)23-15)19-17(21)13-6-4-5-7-14(13)22-11-10-20(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,21)
InChIKeyPGKNSVXRSGGCDO-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.83
Rot. Bonds7

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 87040672) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
PubChem CID87040672
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCCN(C)C)c1ccc(Cl)s1
InChIInChI=1S/C17H21ClN2O2S/c1-12(15-8-9-16(18)23-15)19-17(21)13-6-4-5-7-14(13)22-11-10-20(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,21)
InChIKeyPGKNSVXRSGGCDO-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959876
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37316927
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62181041
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
CID 119506204
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide (CID 87040672) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide is CC(NC(=O)c1ccccc1OCCN(C)C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is PGKNSVXRSGGCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-12(15-8-9-16(18)23-15)19-17(21)13-6-4-5-7-14(13)22-11-10-20(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 352.89 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 87040672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).