2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide

C17H20N2OS — CID 60516285

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-2-4-15(5-3-13)18-17(20)11-19(16-6-7-16)10-14-8-9-21-12-14/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,18,20)
InChIKeyOLLZBENFKVEQEN-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.66
Rot. Bonds6

About 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 60516285) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID60516285
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-2-4-15(5-3-13)18-17(20)11-19(16-6-7-16)10-14-8-9-21-12-14/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,18,20)
InChIKeyOLLZBENFKVEQEN-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 60516341
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55682363
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627
2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 79114144
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide
CID 60516192
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62036851

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide (CID 60516285) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is OLLZBENFKVEQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-2-4-15(5-3-13)18-17(20)11-19(16-6-7-16)10-14-8-9-21-12-14/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60516285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).