N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C24H27ClN4O3S — CID 25357824

About N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 25357824) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

• Compound Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
• PubChem CID: 25357824
• Molecular Formula: C24H27ClN4O3S
• Molecular Weight: 487.03 g/mol
• Exact Mass: 486.15
• IUPAC Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
• SMILES: Cn1ccnc1[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H27ClN4O3S/c1-29-15-14-26-24(29)23(18-6-9-20(25)10-7-18)28-22(30)12-13-27-33(31,32)21-11-8-17-4-2-3-5-19(17)16-21/h6-11,14-16,23,27H,2-5,12-13H2,1H3,(H,28,30)/t23-/m0/s1
• InChIKey: LTQXODHUFBUSTF-QHCPKHFHSA-N
• XLogP: 3.53
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.03
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

The IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 25357824) is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

The canonical SMILES for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is Cn1ccnc1[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1.

What is the InChIKey of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

The InChIKey is LTQXODHUFBUSTF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c1-29-15-14-26-24(29)23(18-6-9-20(25)10-7-18)28-22(30)12-13-27-33(31,32)21-11-8-17-4-2-3-5-19(17)16-21/h6-11,14-16,23,27H,2-5,12-13H2,1H3,(H,28,30)/t23-/m0/s1.

What are the key properties of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 487.03 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 25357824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).