4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C20H23N5O2S2 — CID 46871627

IUPAC4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1
InChIInChI=1S/C20H23N5O2S2/c1-25(2)11-10-22-29(26,27)16-6-4-15(5-7-16)23-20-21-13-14-3-8-18-17(9-12-28-18)19(14)24-20/h4-7,9,12-13,22H,3,8,10-11H2,1-2H3,(H,21,23,24)
InChIKeyVOKVJALZAMIMIX-UHFFFAOYSA-N
MW429.57 g/mol
LogP2.89
Rot. Bonds7

About 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 46871627) has the molecular formula C20H23N5O2S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID46871627
Molecular FormulaC20H23N5O2S2
Molecular Weight429.57 g/mol
Exact Mass429.13
IUPAC Name4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1
InChIInChI=1S/C20H23N5O2S2/c1-25(2)11-10-22-29(26,27)16-6-4-15(5-7-16)23-20-21-13-14-3-8-18-17(9-12-28-18)19(14)24-20/h4-7,9,12-13,22H,3,8,10-11H2,1-2H3,(H,21,23,24)
InChIKeyVOKVJALZAMIMIX-UHFFFAOYSA-N
XLogP2.89
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466261
3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 90466550
Flt3-IN-17
CID 164627080
3-((8-Phenylthieno(2,3-h)quinazolin-2-yl)amino)benzenesulfonamide
CID 53245699
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164609988
N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]-N-methylmethanesulfonamide
CID 164620447
N-(2-(dimethylamino)ethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890320
N-(3-(dimethylamino)propyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890387
N-(2-hydroxyethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890389
N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233996
N-[3-[4-(thiophen-2-ylmethylamino)pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3235369
4-(4-(5-Methylthiophen-2-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11617172

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 46871627) is 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1.
What is the InChIKey of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is VOKVJALZAMIMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S2/c1-25(2)11-10-22-29(26,27)16-6-4-15(5-7-16)23-20-21-13-14-3-8-18-17(9-12-28-18)19(14)24-20/h4-7,9,12-13,22H,3,8,10-11H2,1-2H3,(H,21,23,24).
What are the key properties of 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 429.57 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 46871627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).