N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide

C17H22N2OS — CID 112842313

IUPACN-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)Cc2ccc(C)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-4-14-6-8-15(9-7-14)18-17(20)12-19(3)11-16-10-5-13(2)21-16/h5-10H,4,11-12H2,1-3H3,(H,18,20)
InChIKeyNYDPSRNPAJCUBW-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.69
Rot. Bonds6

About N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide

N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 112842313) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID112842313
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)Cc2ccc(C)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-4-14-6-8-15(9-7-14)18-17(20)12-19(3)11-16-10-5-13(2)21-16/h5-10H,4,11-12H2,1-3H3,(H,18,20)
InChIKeyNYDPSRNPAJCUBW-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
N-(4-ethylphenyl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196576
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 51087238
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide (CID 112842313) is N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide is CCc1ccc(NC(=O)CN(C)Cc2ccc(C)s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is NYDPSRNPAJCUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-14-6-8-15(9-7-14)18-17(20)12-19(3)11-16-10-5-13(2)21-16/h5-10H,4,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide?
N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 112842313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).