N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C22H25N3O6S — CID 6324323

IUPACN-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C22H25N3O6S/c1-14-20(21(26)25-22(27)24-14)32(28,29)23-13-17(11-15-7-5-4-6-8-15)16-9-10-18(30-2)19(12-16)31-3/h4-10,12,17,23H,11,13H2,1-3H3,(H2,24,25,26,27)
InChIKeyLAXNZTLMRVYVGF-UHFFFAOYSA-N
MW459.52 g/mol
LogP1.69
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 6324323) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID6324323
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C22H25N3O6S/c1-14-20(21(26)25-22(27)24-14)32(28,29)23-13-17(11-15-7-5-4-6-8-15)16-9-10-18(30-2)19(12-16)31-3/h4-10,12,17,23H,11,13H2,1-3H3,(H2,24,25,26,27)
InChIKeyLAXNZTLMRVYVGF-UHFFFAOYSA-N
XLogP1.69
TPSA130.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 28561001
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 110314900
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905
[(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium
CID 7874366
N-[(2S)-2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-carboxamide
CID 26435311
N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 19059821
(2R)-2-(benzenesulfonamido)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645937
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538757
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 90613554
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
CID 4318672
2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine
CID 155432883
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 6324323) is N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is COc1ccc(C(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)Cc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is LAXNZTLMRVYVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-14-20(21(26)25-22(27)24-14)32(28,29)23-13-17(11-15-7-5-4-6-8-15)16-9-10-18(30-2)19(12-16)31-3/h4-10,12,17,23H,11,13H2,1-3H3,(H2,24,25,26,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 459.52 g/mol, XLogP of 1.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 6324323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).