2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide

C17H26N2OS — CID 42951116

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C17H26N2OS/c1-13-5-2-3-7-16(13)18-17(20)12-19(14-8-9-14)11-15-6-4-10-21-15/h4,6,10,13-14,16H,2-3,5,7-9,11-12H2,1H3,(H,18,20)
InChIKeyZNZRALDFYZIBQB-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.41
Rot. Bonds6

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 42951116) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
PubChem CID42951116
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C17H26N2OS/c1-13-5-2-3-7-16(13)18-17(20)12-19(14-8-9-14)11-15-6-4-10-21-15/h4,6,10,13-14,16H,2-3,5,7-9,11-12H2,1H3,(H,18,20)
InChIKeyZNZRALDFYZIBQB-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide (CID 42951116) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is ZNZRALDFYZIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13-5-2-3-7-16(13)18-17(20)12-19(14-8-9-14)11-15-6-4-10-21-15/h4,6,10,13-14,16H,2-3,5,7-9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 306.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 42951116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).