(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

C72H83N9O15S3 — CID 157079638

About (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 157079638) has the molecular formula C72H83N9O15S3 and a molecular weight of 1410.70 g/mol. Its IUPAC name is (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

• Compound Name: (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
• PubChem CID: 157079638
• Molecular Formula: C72H83N9O15S3
• Molecular Weight: 1410.70 g/mol
• Exact Mass: 1409.52
• IUPAC Name: (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)C(=O)c2ncc(C)cn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)C(=O)c2ncc(C)cn2)cc1
• InChI: InChI=1S/C24H29N3O5S.2C24H27N3O5S/c3*1-17-13-25-24(26-14-17)23(28)18(2)33(29,30)27(15-19-5-9-21(31-3)10-6-19)16-20-7-11-22(32-4)12-8-20/h5-14,18,23,28H,15-16H2,1-4H3;2*5-14,18H,15-16H2,1-4H3/t18-,23-;2*18-/m010/s1
• InChIKey: ADJOFHHDQNZWHX-LMVJTFKQSA-N
• XLogP: 10.07
• TPSA: 299.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1410.70
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

The IUPAC name of (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (CID 157079638) is (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

What is the SMILES notation for (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

The canonical SMILES for (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)C(=O)c2ncc(C)cn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)C(=O)c2ncc(C)cn2)cc1.

What is the InChIKey of (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

The InChIKey is ADJOFHHDQNZWHX-LMVJTFKQSA-N. The full InChI is InChI=1S/C24H29N3O5S.2C24H27N3O5S/c3*1-17-13-25-24(26-14-17)23(28)18(2)33(29,30)27(15-19-5-9-21(31-3)10-6-19)16-20-7-11-22(32-4)12-8-20/h5-14,18,23,28H,15-16H2,1-4H3;2*5-14,18H,15-16H2,1-4H3/t18-,23-;2*18-/m010/s1.

What are the key properties of (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?

(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 1410.70 g/mol, XLogP of 10.07, 30 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 157079638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).