N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C21H19N3O6S — CID 55681852

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cccc(COCc4ccco4)c3)ccc2[nH]1
InChIInChI=1S/C21H19N3O6S/c25-20-18-10-17(6-7-19(18)23-21(26)24-20)31(27,28)22-11-14-3-1-4-15(9-14)12-29-13-16-5-2-8-30-16/h1-10,22H,11-13H2,(H2,23,24,25,26)
InChIKeyWESIOVJZQDUMKU-UHFFFAOYSA-N
MW441.47 g/mol
LogP2.00
Rot. Bonds8

About N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 55681852) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID55681852
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cccc(COCc4ccco4)c3)ccc2[nH]1
InChIInChI=1S/C21H19N3O6S/c25-20-18-10-17(6-7-19(18)23-21(26)24-20)31(27,28)22-11-14-3-1-4-15(9-14)12-29-13-16-5-2-8-30-16/h1-10,22H,11-13H2,(H2,23,24,25,26)
InChIKeyWESIOVJZQDUMKU-UHFFFAOYSA-N
XLogP2.00
TPSA134.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 78858136
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55914416
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
CID 56586873
N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565588
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565667
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565668
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 55681852) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cccc(COCc4ccco4)c3)ccc2[nH]1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is WESIOVJZQDUMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c25-20-18-10-17(6-7-19(18)23-21(26)24-20)31(27,28)22-11-14-3-1-4-15(9-14)12-29-13-16-5-2-8-30-16/h1-10,22H,11-13H2,(H2,23,24,25,26).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 441.47 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 55681852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).