N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide

C17H23N3O4S — CID 7161167

IUPACN-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H23N3O4S/c1-5-6-7-13-8-10-14(11-9-13)18-25(23,24)15-12(2)19(3)17(22)20(4)16(15)21/h8-11,18H,5-7H2,1-4H3
InChIKeyHIZGQRWEELMMPS-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.54
Rot. Bonds6

About N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide

N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide (PubChem CID 7161167) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
PubChem CID7161167
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H23N3O4S/c1-5-6-7-13-8-10-14(11-9-13)18-25(23,24)15-12(2)19(3)17(22)20(4)16(15)21/h8-11,18H,5-7H2,1-4H3
InChIKeyHIZGQRWEELMMPS-UHFFFAOYSA-N
XLogP1.54
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196425
1,3,6-trimethyl-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196430
N-(2,4-dimethylphenyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 16017979
N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide
CID 6621534
6-methyl-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 3345054
1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide
CID 5310479
N-(2,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7161162
1,3,6-trimethyl-2,4-dioxo-N-phenethyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196489
1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 11957239
6-amino-1,3-dimethyl-2,4-dioxo-N-(1-phenylethyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16801242
N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinesulfonamide
CID 3618917
N-(3-ethylphenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16017981

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide (CID 7161167) is N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide is CCCCc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The InChIKey is HIZGQRWEELMMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-5-6-7-13-8-10-14(11-9-13)18-25(23,24)15-12(2)19(3)17(22)20(4)16(15)21/h8-11,18H,5-7H2,1-4H3.
What are the key properties of N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7161167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).