2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride

C31H44Cl2N4O5S — CID 162324942

About 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 162324942) has the molecular formula C31H44Cl2N4O5S and a molecular weight of 655.69 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 162324942
• Molecular Formula: C31H44Cl2N4O5S
• Molecular Weight: 655.69 g/mol
• Exact Mass: 654.24
• IUPAC Name: 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CCN(CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C1(CC)CC)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N.Cl
• InChI: InChI=1S/C31H43ClN4O5S.ClH/c1-7-31(8-2)25(27(42(39,40)35(31)6)23-15-17-24(32)18-16-23)19-36(9-3)28(37)26(34-29(38)30(4,5)33)21-41-20-22-13-11-10-12-14-22;/h10-18,26H,7-9,19-21,33H2,1-6H3,(H,34,38);1H/t26-;/m1./s1
• InChIKey: FHHDVZREIXEXBV-UFTMZEDQSA-N
• XLogP: 4.59
• TPSA: 122.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.69
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride (CID 162324942) is 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride is CCN(CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C1(CC)CC)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N.Cl.

What is the InChIKey of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is FHHDVZREIXEXBV-UFTMZEDQSA-N. The full InChI is InChI=1S/C31H43ClN4O5S.ClH/c1-7-31(8-2)25(27(42(39,40)35(31)6)23-15-17-24(32)18-16-23)19-36(9-3)28(37)26(34-29(38)30(4,5)33)21-41-20-22-13-11-10-12-14-22;/h10-18,26H,7-9,19-21,33H2,1-6H3,(H,34,38);1H/t26-;/m1./s1.

What are the key properties of 2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride?

2-amino-N-[(2R)-1-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 655.69 g/mol, XLogP of 4.59, 13 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-[[5-(4-chlorophenyl)-3,3-diethyl-2-methyl-1,1-dioxo-1,2-thiazol-4-yl]methyl-ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 162324942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).