2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride

C32H45ClN4O5S — CID 162340173

About 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 162340173) has the molecular formula C32H45ClN4O5S and a molecular weight of 633.26 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 162340173
• Molecular Formula: C32H45ClN4O5S
• Molecular Weight: 633.26 g/mol
• Exact Mass: 632.28
• IUPAC Name: 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CCN(CC1=C(c2ccccc2)S(=O)(=O)N(C)C12CCCCC2)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N.Cl
• InChI: InChI=1S/C32H44N4O5S.ClH/c1-5-36(29(37)27(34-30(38)31(2,3)33)23-41-22-24-15-9-6-10-16-24)21-26-28(25-17-11-7-12-18-25)42(39,40)35(4)32(26)19-13-8-14-20-32;/h6-7,9-12,15-18,27H,5,8,13-14,19-23,33H2,1-4H3,(H,34,38);1H/t27-;/m1./s1
• InChIKey: LOFAETXZWSCRGD-HZPIKELBSA-N
• XLogP: 4.09
• TPSA: 122.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.26
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride (CID 162340173) is 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride is CCN(CC1=C(c2ccccc2)S(=O)(=O)N(C)C12CCCCC2)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N.Cl.

What is the InChIKey of 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is LOFAETXZWSCRGD-HZPIKELBSA-N. The full InChI is InChI=1S/C32H44N4O5S.ClH/c1-5-36(29(37)27(34-30(38)31(2,3)33)23-41-22-24-15-9-6-10-16-24)21-26-28(25-17-11-7-12-18-25)42(39,40)35(4)32(26)19-13-8-14-20-32;/h6-7,9-12,15-18,27H,5,8,13-14,19-23,33H2,1-4H3,(H,34,38);1H/t27-;/m1./s1.

What are the key properties of 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 633.26 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-1-[ethyl-[(1-methyl-2,2-dioxo-3-phenyl-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 162340173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).