N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide

C25H30N4O5S — CID 20865951

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H30N4O5S/c1-26(17-23(30)29-13-11-19(12-14-29)15-18-7-5-4-6-8-18)35(33,34)20-9-10-22-21(16-20)24(31)28(3)25(32)27(22)2/h4-10,16,19H,11-15,17H2,1-3H3
InChIKeyPNMCQSAXWHXCKN-UHFFFAOYSA-N
MW498.61 g/mol
LogP1.34
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 20865951) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID20865951
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H30N4O5S/c1-26(17-23(30)29-13-11-19(12-14-29)15-18-7-5-4-6-8-18)35(33,34)20-9-10-22-21(16-20)24(31)28(3)25(32)27(22)2/h4-10,16,19H,11-15,17H2,1-3H3
InChIKeyPNMCQSAXWHXCKN-UHFFFAOYSA-N
XLogP1.34
TPSA101.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20865905
N-cyclooctyl-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 20865917
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide
CID 20865947
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20865952
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide
CID 30168093
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 53298120
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 51343685

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 20865951) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide is CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is PNMCQSAXWHXCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-26(17-23(30)29-13-11-19(12-14-29)15-18-7-5-4-6-8-18)35(33,34)20-9-10-22-21(16-20)24(31)28(3)25(32)27(22)2/h4-10,16,19H,11-15,17H2,1-3H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 498.61 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 20865951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).