1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide

C18H19N3O4S — CID 51249055

IUPAC1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19N3O4S/c1-12(14-9-8-13-6-4-5-7-15(13)10-14)19-26(24,25)16-11-20(2)18(23)21(3)17(16)22/h4-12,19H,1-3H3
InChIKeySGGGIRRYOGLPGE-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.28
Rot. Bonds4

About 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide

1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 51249055) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID51249055
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19N3O4S/c1-12(14-9-8-13-6-4-5-7-15(13)10-14)19-26(24,25)16-11-20(2)18(23)21(3)17(16)22/h4-12,19H,1-3H3
InChIKeySGGGIRRYOGLPGE-UHFFFAOYSA-N
XLogP1.28
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 24511010
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47013196
5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
CID 134035693
N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26201902
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 119976016
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 97262132
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide
CID 26531792

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide (CID 51249055) is 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide is CC(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1.
What is the InChIKey of 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is SGGGIRRYOGLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12(14-9-8-13-6-4-5-7-15(13)10-14)19-26(24,25)16-11-20(2)18(23)21(3)17(16)22/h4-12,19H,1-3H3.
What are the key properties of 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide?
1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 51249055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).