2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C15H18N2OS — CID 106151252

IUPAC2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2sccc2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10-3-5-12(6-4-10)14(16)15(18)17-9-13-11(2)7-8-19-13/h3-8,14H,9,16H2,1-2H3,(H,17,18)
InChIKeyJTROUUBXNRAPBO-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 106151252) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID106151252
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2sccc2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10-3-5-12(6-4-10)14(16)15(18)17-9-13-11(2)7-8-19-13/h3-8,14H,9,16H2,1-2H3,(H,17,18)
InChIKeyJTROUUBXNRAPBO-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106312493
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120668636
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 104685344
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 106151252) is 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(C(N)C(=O)NCc2sccc2C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is JTROUUBXNRAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-3-5-12(6-4-10)14(16)15(18)17-9-13-11(2)7-8-19-13/h3-8,14H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 274.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 106151252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).