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

C124H153N15O21S5 — CID 157245689

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

N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde (PubChem CID 157245689) has the molecular formula C124H153N15O21S5 and a molecular weight of 2350.01 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde.

Molecular Properties

• Compound Name: N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde
• PubChem CID: 157245689
• Molecular Formula: C124H153N15O21S5
• Molecular Weight: 2350.01 g/mol
• Exact Mass: 2348.00
• IUPAC Name: N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde
• SMILES: CCS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(C)cn2)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ncc(C)cn2)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](O)c2ncc(C)cn2)cc1.Cc1cnc(C=O)nc1
• InChI: InChI=1S/4C25H31N3O4S.C18H23NO4S.C6H6N2O/c4*1-5-20-6-8-21(9-7-20)16-28(17-22-10-12-23(32-4)13-11-22)33(30,31)19(3)24(29)25-26-14-18(2)15-27-25;1-4-24(20,21)19(13-15-5-9-17(22-2)10-6-15)14-16-7-11-18(23-3)12-8-16;1-5-2-7-6(4-9)8-3-5/h4*6-15,19,24,29H,5,16-17H2,1-4H3;5-12H,4,13-14H2,1-3H3;2-4H,1H3/t2*19-,24+;2*19-,24-;;/m1010../s1
• InChIKey: AVSRMZZVTXWDQA-WHIDDCBTSA-N
• XLogP: 18.89
• TPSA: 469.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 49
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2350.01
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde (CID 157245689) is N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde.

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

The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde is CCS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(C)cn2)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ncc(C)cn2)cc1.CCc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](O)c2ncc(C)cn2)cc1.Cc1cnc(C=O)nc1.

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

The InChIKey is AVSRMZZVTXWDQA-WHIDDCBTSA-N. The full InChI is InChI=1S/4C25H31N3O4S.C18H23NO4S.C6H6N2O/c4*1-5-20-6-8-21(9-7-20)16-28(17-22-10-12-23(32-4)13-11-22)33(30,31)19(3)24(29)25-26-14-18(2)15-27-25;1-4-24(20,21)19(13-15-5-9-17(22-2)10-6-15)14-16-7-11-18(23-3)12-8-16;1-5-2-7-6(4-9)8-3-5/h4*6-15,19,24,29H,5,16-17H2,1-4H3;5-12H,4,13-14H2,1-3H3;2-4H,1H3/t2*19-,24+;2*19-,24-;;/m1010../s1.

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

N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde has a molecular weight of 2350.01 g/mol, XLogP of 18.89, 49 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde is sourced from PubChem (CID 157245689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).