N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide

C18H24N2OS — CID 833802

IUPACN-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCCN(CC)Cc1c(NC(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C18H24N2OS/c1-5-20(6-2)12-16-13(3)14(4)22-18(16)19-17(21)15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3,(H,19,21)
InChIKeyCPYRSGLYASSSSA-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.46
Rot. Bonds6

About N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide

N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 833802) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID833802
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide
SMILESCCN(CC)Cc1c(NC(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C18H24N2OS/c1-5-20(6-2)12-16-13(3)14(4)22-18(16)19-17(21)15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3,(H,19,21)
InChIKeyCPYRSGLYASSSSA-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide (CID 833802) is N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide is CCN(CC)Cc1c(NC(=O)c2ccccc2)sc(C)c1C.
What is the InChIKey of N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is CPYRSGLYASSSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-5-20(6-2)12-16-13(3)14(4)22-18(16)19-17(21)15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 316.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 833802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).