4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide

C51H60N4O10S4 — CID 142660509

About 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide

4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide (PubChem CID 142660509) has the molecular formula C51H60N4O10S4 and a molecular weight of 1017.33 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide
• PubChem CID: 142660509
• Molecular Formula: C51H60N4O10S4
• Molecular Weight: 1017.33 g/mol
• Exact Mass: 1016.32
• IUPAC Name: 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N[C@H](COCc2ccccc2)CN(CCCN(C[C@@H](COCc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C51H60N4O10S4/c1-40-16-24-48(25-17-40)66(56,57)52-46(38-64-36-44-12-7-5-8-13-44)34-54(68(60,61)50-28-20-42(3)21-29-50)32-11-33-55(69(62,63)51-30-22-43(4)23-31-51)35-47(39-65-37-45-14-9-6-10-15-45)53-67(58,59)49-26-18-41(2)19-27-49/h5-10,12-31,46-47,52-53H,11,32-39H2,1-4H3/t46-,47-/m0/s1
• InChIKey: LURKMCGLTQXQQP-MVRBIKRMSA-N
• XLogP: 7.12
• TPSA: 185.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.33
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide?

The IUPAC name of 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide (CID 142660509) is 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide?

The canonical SMILES for 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](COCc2ccccc2)CN(CCCN(C[C@@H](COCc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.

What is the InChIKey of 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide?

The InChIKey is LURKMCGLTQXQQP-MVRBIKRMSA-N. The full InChI is InChI=1S/C51H60N4O10S4/c1-40-16-24-48(25-17-40)66(56,57)52-46(38-64-36-44-12-7-5-8-13-44)34-54(68(60,61)50-28-20-42(3)21-29-50)32-11-33-55(69(62,63)51-30-22-43(4)23-31-51)35-47(39-65-37-45-14-9-6-10-15-45)53-67(58,59)49-26-18-41(2)19-27-49/h5-10,12-31,46-47,52-53H,11,32-39H2,1-4H3/t46-,47-/m0/s1.

What are the key properties of 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide?

4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide has a molecular weight of 1017.33 g/mol, XLogP of 7.12, 26 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxypropyl]amino]propyl]amino]-3-phenylmethoxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 142660509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).