N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide

C17H22N2OS — CID 43692049

IUPACN-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
SMILESCCC(Nc1ccccc1CN(C)C(C)=O)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-4-15(17-10-7-11-21-17)18-16-9-6-5-8-14(16)12-19(3)13(2)20/h5-11,15,18H,4,12H2,1-3H3
InChIKeyUOZNZSSQPQPKKM-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.29
Rot. Bonds6

About N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide

N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide (PubChem CID 43692049) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
PubChem CID43692049
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
SMILESCCC(Nc1ccccc1CN(C)C(C)=O)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-4-15(17-10-7-11-21-17)18-16-9-6-5-8-14(16)12-19(3)13(2)20/h5-11,15,18H,4,12H2,1-3H3
InChIKeyUOZNZSSQPQPKKM-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
CID 43782865
N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
CID 115916620
2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43693800
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
N-methyl-N-[[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methyl]acetamide
CID 43692128
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
CID 43692114
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide (CID 43692049) is N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide is CCC(Nc1ccccc1CN(C)C(C)=O)c1cccs1.
What is the InChIKey of N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide?
The InChIKey is UOZNZSSQPQPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-15(17-10-7-11-21-17)18-16-9-6-5-8-14(16)12-19(3)13(2)20/h5-11,15,18H,4,12H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide?
N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 43692049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).