N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide

C16H20N2OS — CID 63991666

IUPACN-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC(C)c2sccc2C)cc1
InChIInChI=1S/C16H20N2OS/c1-11-8-9-20-16(11)12(2)18-14-6-4-13(5-7-14)10-15(19)17-3/h4-9,12,18H,10H2,1-3H3,(H,17,19)
InChIKeyWDSIECPMMFEQTJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide

N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide (PubChem CID 63991666) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
PubChem CID63991666
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC(C)c2sccc2C)cc1
InChIInChI=1S/C16H20N2OS/c1-11-8-9-20-16(11)12(2)18-14-6-4-13(5-7-14)10-15(19)17-3/h4-9,12,18H,10H2,1-3H3,(H,17,19)
InChIKeyWDSIECPMMFEQTJ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
N-methyl-2-[4-[1-(4-methylphenyl)ethylamino]phenyl]acetamide
CID 43714072
2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
CID 43789468
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
N-methyl-2-(3-methylthiophen-2-yl)acetamide
CID 67628204
2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714074
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993026
2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714113
N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63990671
N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830
4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63991282

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide (CID 63991666) is N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide is CNC(=O)Cc1ccc(NC(C)c2sccc2C)cc1.
What is the InChIKey of N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
The InChIKey is WDSIECPMMFEQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-8-9-20-16(11)12(2)18-14-6-4-13(5-7-14)10-15(19)17-3/h4-9,12,18H,10H2,1-3H3,(H,17,19).
What are the key properties of N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 63991666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).