2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide

C14H26N2O2S — CID 107769292

IUPAC2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide
SMILESCCCC1CCC(NC(=O)C(CS)NC(C)=O)CC1
InChIInChI=1S/C14H26N2O2S/c1-3-4-11-5-7-12(8-6-11)16-14(18)13(9-19)15-10(2)17/h11-13,19H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDRIXNPZHMWFHDI-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.90
Rot. Bonds6

About 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide

2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide (PubChem CID 107769292) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide
PubChem CID107769292
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide
SMILESCCCC1CCC(NC(=O)C(CS)NC(C)=O)CC1
InChIInChI=1S/C14H26N2O2S/c1-3-4-11-5-7-12(8-6-11)16-14(18)13(9-19)15-10(2)17/h11-13,19H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDRIXNPZHMWFHDI-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-cycloheptyl-3-sulfanylpropanamide
CID 107769078
methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
CID 103245661
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide
CID 107769536
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
CID 78976074
2-acetamido-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-sulfanylpropanamide
CID 107769949
2-acetamido-N-(2,3-dimethylcyclohexyl)-3-sulfanylpropanamide
CID 107769000
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
2-acetamido-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107769746
2-acetamido-N-[(1-ethylpiperidin-4-yl)methyl]-3-sulfanylpropanamide
CID 107769367
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide (CID 107769292) is 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide is CCCC1CCC(NC(=O)C(CS)NC(C)=O)CC1.
What is the InChIKey of 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide?
The InChIKey is DRIXNPZHMWFHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-3-4-11-5-7-12(8-6-11)16-14(18)13(9-19)15-10(2)17/h11-13,19H,3-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide?
2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide has a molecular weight of 286.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).