2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide

C18H28N2O2S — CID 4535556

IUPAC2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(C)=O
InChIInChI=1S/C18H28N2O2S/c1-4-18(3,17(22)19-15-9-6-5-7-10-15)20(14(2)21)13-16-11-8-12-23-16/h8,11-12,15H,4-7,9-10,13H2,1-3H3,(H,19,22)
InChIKeyDOWSSQDFRIWUQJ-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.71
Rot. Bonds6

About 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide

2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide (PubChem CID 4535556) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide.

Molecular Properties

Compound Name2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
PubChem CID4535556
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(C)=O
InChIInChI=1S/C18H28N2O2S/c1-4-18(3,17(22)19-15-9-6-5-7-10-15)20(14(2)21)13-16-11-8-12-23-16/h8,11-12,15H,4-7,9-10,13H2,1-3H3,(H,19,22)
InChIKeyDOWSSQDFRIWUQJ-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide?
The IUPAC name of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide (CID 4535556) is 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide.
What is the SMILES notation for 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide?
The canonical SMILES for 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide is CCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(C)=O.
What is the InChIKey of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide?
The InChIKey is DOWSSQDFRIWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-4-18(3,17(22)19-15-9-6-5-7-10-15)20(14(2)21)13-16-11-8-12-23-16/h8,11-12,15H,4-7,9-10,13H2,1-3H3,(H,19,22).
What are the key properties of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide?
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide has a molecular weight of 336.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide is sourced from PubChem (CID 4535556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).