3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide

C19H30N2O2S — CID 55582999

IUPAC3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NC1CCCCC1C(C)(C)C)c1cccs1
InChIInChI=1S/C19H30N2O2S/c1-13(22)20-16(17-10-7-11-24-17)12-18(23)21-15-9-6-5-8-14(15)19(2,3)4/h7,10-11,14-16H,5-6,8-9,12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyQYMSCUGIJKWHSX-UHFFFAOYSA-N
MW350.53 g/mol
LogP4.04
Rot. Bonds5

About 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide (PubChem CID 55582999) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide
PubChem CID55582999
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NC1CCCCC1C(C)(C)C)c1cccs1
InChIInChI=1S/C19H30N2O2S/c1-13(22)20-16(17-10-7-11-24-17)12-18(23)21-15-9-6-5-8-14(15)19(2,3)4/h7,10-11,14-16H,5-6,8-9,12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyQYMSCUGIJKWHSX-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide (CID 55582999) is 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NC1CCCCC1C(C)(C)C)c1cccs1.
What is the InChIKey of 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide?
The InChIKey is QYMSCUGIJKWHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-13(22)20-16(17-10-7-11-24-17)12-18(23)21-15-9-6-5-8-14(15)19(2,3)4/h7,10-11,14-16H,5-6,8-9,12H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide has a molecular weight of 350.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-tert-butylcyclohexyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55582999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).