N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide

C19H21N3O4S — CID 1251717

IUPACN-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2n(CC)c1=O
InChIInChI=1S/C19H21N3O4S/c1-3-21-17-11-10-15(12-16(17)18(23)22(4-2)19(21)24)27(25,26)20-13-14-8-6-5-7-9-14/h5-12,20H,3-4,13H2,1-2H3
InChIKeySUAAMXKHGTWDOC-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.68
Rot. Bonds6

About N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide

N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 1251717) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID1251717
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2n(CC)c1=O
InChIInChI=1S/C19H21N3O4S/c1-3-21-17-11-10-15(12-16(17)18(23)22(4-2)19(21)24)27(25,26)20-13-14-8-6-5-7-9-14/h5-12,20H,3-4,13H2,1-2H3
InChIKeySUAAMXKHGTWDOC-UHFFFAOYSA-N
XLogP1.68
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 1251717) is N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide is CCn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2n(CC)c1=O.
What is the InChIKey of N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is SUAAMXKHGTWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-21-17-11-10-15(12-16(17)18(23)22(4-2)19(21)24)27(25,26)20-13-14-8-6-5-7-9-14/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 1251717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).