2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

C17H29ClN4O3S — CID 119592007

About 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride

2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (PubChem CID 119592007) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
• PubChem CID: 119592007
• Molecular Formula: C17H29ClN4O3S
• Molecular Weight: 404.96 g/mol
• Exact Mass: 404.16
• IUPAC Name: 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
• SMILES: Cc1cc(NC(=O)C(C)SCC(=O)NC(CN)C2CCCCC2)no1.Cl
• InChI: InChI=1S/C17H28N4O3S.ClH/c1-11-8-15(21-24-11)20-17(23)12(2)25-10-16(22)19-14(9-18)13-6-4-3-5-7-13;/h8,12-14H,3-7,9-10,18H2,1-2H3,(H,19,22)(H,20,21,23);1H
• InChIKey: PNROVMZSULWWDR-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 110.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.96
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?

The IUPAC name of 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride (CID 119592007) is 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride.

What is the SMILES notation for 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?

The canonical SMILES for 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is Cc1cc(NC(=O)C(C)SCC(=O)NC(CN)C2CCCCC2)no1.Cl.

What is the InChIKey of 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?

The InChIKey is PNROVMZSULWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-11-8-15(21-24-11)20-17(23)12(2)25-10-16(22)19-14(9-18)13-6-4-3-5-7-13;/h8,12-14H,3-7,9-10,18H2,1-2H3,(H,19,22)(H,20,21,23);1H.

What are the key properties of 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride?

2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119592007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).