4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide

C19H24N4O3S — CID 90620917

IUPAC4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCc3ncncc3C2)cc1
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)15-4-6-16(7-5-15)27(25,26)22-11-18(24)23-9-8-17-14(12-23)10-20-13-21-17/h4-7,10,13,22H,8-9,11-12H2,1-3H3
InChIKeyWEAUGHMNGIUXOU-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.64
Rot. Bonds4

About 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide

4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 90620917) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID90620917
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCc3ncncc3C2)cc1
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)15-4-6-16(7-5-15)27(25,26)22-11-18(24)23-9-8-17-14(12-23)10-20-13-21-17/h4-7,10,13,22H,8-9,11-12H2,1-3H3
InChIKeyWEAUGHMNGIUXOU-UHFFFAOYSA-N
XLogP1.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
CID 110370945
N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzamide
CID 90620998
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-ethylbenzenesulfonamide
CID 110370913
2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90620885
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenyl)ethanone
CID 90620879
N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 110370938
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90620861
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone
CID 90620979
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide (CID 90620917) is 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCc3ncncc3C2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is WEAUGHMNGIUXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-19(2,3)15-4-6-16(7-5-15)27(25,26)22-11-18(24)23-9-8-17-14(12-23)10-20-13-21-17/h4-7,10,13,22H,8-9,11-12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide?
4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 90620917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).