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

C24H27N3O5S — CID 122701180

IUPAC(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)C(=O)c2ncc(C)cn2)cc1
InChIInChI=1S/C24H27N3O5S/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/h5-14,18H,15-16H2,1-4H3/t18-/m0/s1
InChIKeyKPXUQYGZKBSGSY-SFHVURJKSA-N
MW469.56 g/mol
LogP3.41
Rot. Bonds10

About (2S)-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 (PubChem CID 122701180) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
PubChem CID122701180
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)C(=O)c2ncc(C)cn2)cc1
InChIInChI=1S/C24H27N3O5S/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/h5-14,18H,15-16H2,1-4H3/t18-/m0/s1
InChIKeyKPXUQYGZKBSGSY-SFHVURJKSA-N
XLogP3.41
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-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

Related Compounds

(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
(1R,2S)-1-(2-hydroxyethoxy)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2S)-1-(2-methoxyethoxy)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 161093660
(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
CID 122702645
N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
CID 122701248
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
CID 145359334
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
(1R,2S)-1-[(2R)-2,3-dihydroxypropoxy]-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2S)-1-[(2S)-2,3-dihydroxypropoxy]-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2S)-1-(2-hydroxyethoxy)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 162033839
(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122702089
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702192
(1S,2S)-1-(5-chloro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122701832

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The IUPAC name of (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide (CID 122701180) is (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide.
What is the SMILES notation for (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The canonical SMILES for (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)C(=O)c2ncc(C)cn2)cc1.
What is the InChIKey of (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The InChIKey is KPXUQYGZKBSGSY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3O5S/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/h5-14,18H,15-16H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-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 has a molecular weight of 469.56 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide is sourced from PubChem (CID 122701180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).