N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide

C18H24N2OS — CID 112503925

IUPACN-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(C)c1)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-4-20(5-2)16(17-10-7-11-22-17)13-19-18(21)15-9-6-8-14(3)12-15/h6-12,16H,4-5,13H2,1-3H3,(H,19,21)
InChIKeyPRFAOJJLHGUXRA-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide (PubChem CID 112503925) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
PubChem CID112503925
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(C)c1)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-4-20(5-2)16(17-10-7-11-22-17)13-19-18(21)15-9-6-8-14(3)12-15/h6-12,16H,4-5,13H2,1-3H3,(H,19,21)
InChIKeyPRFAOJJLHGUXRA-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110302750
2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
CID 112503956
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
CID 125159526
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 134048537
3-methyl-N-(2-methylpropyl)benzamide
CID 835315

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide (CID 112503925) is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide is CCN(CC)C(CNC(=O)c1cccc(C)c1)c1cccs1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide?
The InChIKey is PRFAOJJLHGUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-4-20(5-2)16(17-10-7-11-22-17)13-19-18(21)15-9-6-8-14(3)12-15/h6-12,16H,4-5,13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide?
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide has a molecular weight of 316.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide is sourced from PubChem (CID 112503925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).