N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide

C16H20N2OS — CID 43680749

IUPACN-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H20N2OS/c1-4-17-16(19)13-6-5-7-14(10-13)18-12(3)15-9-8-11(2)20-15/h5-10,12,18H,4H2,1-3H3,(H,17,19)
InChIKeyZTMPQUFBPJOBLY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.98
Rot. Bonds5

About N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide

N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide (PubChem CID 43680749) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
PubChem CID43680749
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H20N2OS/c1-4-17-16(19)13-6-5-7-14(10-13)18-12(3)15-9-8-11(2)20-15/h5-10,12,18H,4H2,1-3H3,(H,17,19)
InChIKeyZTMPQUFBPJOBLY-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
CID 107167773
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636
N-ethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032381
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide
CID 43439080
N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
CID 43693725
3-acetamido-N-ethylbenzamide
CID 17230670
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide?
The IUPAC name of N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide (CID 43680749) is N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide?
The canonical SMILES for N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide is CCNC(=O)c1cccc(NC(C)c2ccc(C)s2)c1.
What is the InChIKey of N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide?
The InChIKey is ZTMPQUFBPJOBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-17-16(19)13-6-5-7-14(10-13)18-12(3)15-9-8-11(2)20-15/h5-10,12,18H,4H2,1-3H3,(H,17,19).
What are the key properties of N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide?
N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide is sourced from PubChem (CID 43680749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).