2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide

C17H22N2OS — CID 106312517

IUPAC2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)C(C)Cc2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-12-6-8-14(9-7-12)16(18)17(20)19(3)13(2)11-15-5-4-10-21-15/h4-10,13,16H,11,18H2,1-3H3
InChIKeyFABRMEJIGKWVPS-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.15
Rot. Bonds5

About 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide

2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 106312517) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID106312517
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)C(C)Cc2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-12-6-8-14(9-7-12)16(18)17(20)19(3)13(2)11-15-5-4-10-21-15/h4-10,13,16H,11,18H2,1-3H3
InChIKeyFABRMEJIGKWVPS-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide (CID 106312517) is 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide is Cc1ccc(C(N)C(=O)N(C)C(C)Cc2cccs2)cc1.
What is the InChIKey of 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is FABRMEJIGKWVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-6-8-14(9-7-12)16(18)17(20)19(3)13(2)11-15-5-4-10-21-15/h4-10,13,16H,11,18H2,1-3H3.
What are the key properties of 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 106312517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).