[2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate

C22H22N4O4S2 — CID 11677152

IUPAC[2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1
InChIInChI=1S/C22H22N4O4S2/c1-22(2,3)20(27)30-12-15-10-17-18(31-15)8-7-13-11-24-21(26-19(13)17)25-14-5-4-6-16(9-14)32(23,28)29/h4-11H,12H2,1-3H3,(H2,23,28,29)(H,24,25,26)
InChIKeyHONSRXWRVDXPDE-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.32
Rot. Bonds5

About [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate

[2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate (PubChem CID 11677152) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate
PubChem CID11677152
Molecular FormulaC22H22N4O4S2
Molecular Weight470.58 g/mol
Exact Mass470.11
IUPAC Name[2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1
InChIInChI=1S/C22H22N4O4S2/c1-22(2,3)20(27)30-12-15-10-17-18(31-15)8-7-13-11-24-21(26-19(13)17)25-14-5-4-6-16(9-14)32(23,28)29/h4-11H,12H2,1-3H3,(H2,23,28,29)(H,24,25,26)
InChIKeyHONSRXWRVDXPDE-UHFFFAOYSA-N
XLogP4.32
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate
CID 59262752
N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide
CID 59262750
3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 11611670
N-[2-(methylamino)ethyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide
CID 70947182
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262879
1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 59262748
3-[[2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 59262936
3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 158861665
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
(3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262706
N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
CID 59262738
methyl 5-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylate
CID 25123992

Frequently Asked Questions

What is the IUPAC name of [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate (CID 11677152) is [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.
What is the InChIKey of [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is HONSRXWRVDXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S2/c1-22(2,3)20(27)30-12-15-10-17-18(31-15)8-7-13-11-24-21(26-19(13)17)25-14-5-4-6-16(9-14)32(23,28)29/h4-11H,12H2,1-3H3,(H2,23,28,29)(H,24,25,26).
What are the key properties of [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate?
[2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 470.58 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11677152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).