5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide

C16H19ClN2OS — CID 79489207

IUPAC5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-3-18-15-7-6-12(17)11-14(15)16(20)19(2)9-8-13-5-4-10-21-13/h4-7,10-11,18H,3,8-9H2,1-2H3
InChIKeyQRBSTDDFEWFWDW-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.15
Rot. Bonds6

About 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide

5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 79489207) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID79489207
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-3-18-15-7-6-12(17)11-14(15)16(20)19(2)9-8-13-5-4-10-21-13/h4-7,10-11,18H,3,8-9H2,1-2H3
InChIKeyQRBSTDDFEWFWDW-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
CID 71978167
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180211
5-chloro-2-(ethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62179422
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (CID 79489207) is 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is CCNc1ccc(Cl)cc1C(=O)N(C)CCc1cccs1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is QRBSTDDFEWFWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-3-18-15-7-6-12(17)11-14(15)16(20)19(2)9-8-13-5-4-10-21-13/h4-7,10-11,18H,3,8-9H2,1-2H3.
What are the key properties of 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 322.86 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 79489207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).