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

C15H19N3O6S — CID 28561001

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H19N3O6S/c1-8(10-5-6-11(23-3)12(7-10)24-4)18-25(21,22)13-9(2)16-15(20)17-14(13)19/h5-8,18H,1-4H3,(H2,16,17,19,20)/t8-/m0/s1
InChIKeyXBPGLDYBHKWWOG-QMMMGPOBSA-N
MW369.40 g/mol
LogP0.43
Rot. Bonds6

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

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 28561001) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID28561001
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H19N3O6S/c1-8(10-5-6-11(23-3)12(7-10)24-4)18-25(21,22)13-9(2)16-15(20)17-14(13)19/h5-8,18H,1-4H3,(H2,16,17,19,20)/t8-/m0/s1
InChIKeyXBPGLDYBHKWWOG-QMMMGPOBSA-N
XLogP0.43
TPSA130.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648159
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
CID 3508793
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
CID 66838352
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92684806

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 28561001) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is COc1ccc([C@H](C)NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1OC.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is XBPGLDYBHKWWOG-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-8(10-5-6-11(23-3)12(7-10)24-4)18-25(21,22)13-9(2)16-15(20)17-14(13)19/h5-8,18H,1-4H3,(H2,16,17,19,20)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 369.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 28561001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).