N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H23N3O3S — CID 90516325

IUPACN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O3S/c26-22-15-21(18-7-2-1-3-8-18)23-16-25(22)13-12-24-29(27,28)20-11-10-17-6-4-5-9-19(17)14-20/h1-3,7-8,10-11,14-16,24H,4-6,9,12-13H2
InChIKeyLOGOGRUAUMXLEN-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 90516325) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID90516325
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O3S/c26-22-15-21(18-7-2-1-3-8-18)23-16-25(22)13-12-24-29(27,28)20-11-10-17-6-4-5-9-19(17)14-20/h1-3,7-8,10-11,14-16,24H,4-6,9,12-13H2
InChIKeyLOGOGRUAUMXLEN-UHFFFAOYSA-N
XLogP2.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516288
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516462
2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516346
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978
2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 56724555
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71808241
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16826007
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
CID 122277641
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]pyridine-3-sulfonamide
CID 90516504
4-methoxy-2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516337

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 90516325) is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is LOGOGRUAUMXLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22-15-21(18-7-2-1-3-8-18)23-16-25(22)13-12-24-29(27,28)20-11-10-17-6-4-5-9-19(17)14-20/h1-3,7-8,10-11,14-16,24H,4-6,9,12-13H2.
What are the key properties of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 409.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 90516325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).