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

C24H29N3O5S — CID 122701719

IUPAC(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](O)c2ncc(C)cn2)cc1
InChIInChI=1S/C24H29N3O5S/c1-17-13-25-24(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/t18-,23+/m1/s1
InChIKeyKQTQGNYRQKAFHJ-JPYJTQIMSA-N
MW471.58 g/mol
LogP3.26
Rot. Bonds10

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

(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 122701719) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
PubChem CID122701719
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](O)c2ncc(C)cn2)cc1
InChIInChI=1S/C24H29N3O5S/c1-17-13-25-24(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/t18-,23+/m1/s1
InChIKeyKQTQGNYRQKAFHJ-JPYJTQIMSA-N
XLogP3.26
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The IUPAC name of (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (CID 122701719) is (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The canonical SMILES for (1R,2R)-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@H](O)c2ncc(C)cn2)cc1.
What is the InChIKey of (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The InChIKey is KQTQGNYRQKAFHJ-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-17-13-25-24(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/t18-,23+/m1/s1.
What are the key properties of (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 471.58 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 122701719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).