N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide

C24H24N4O4S2 — CID 59262826

IUPACN-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide
SMILESCS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCC(O)CC5)cc4c3n2)c1
InChIInChI=1S/C24H24N4O4S2/c1-34(31,32)18-4-2-3-16(11-18)27-24-25-13-14-5-10-20-19(22(14)28-24)12-21(33-20)23(30)26-15-6-8-17(29)9-7-15/h2-5,10-13,15,17,29H,6-9H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyGJTYLWVDAFLPFH-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.02
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide

N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide (PubChem CID 59262826) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide
PubChem CID59262826
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide
SMILESCS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCC(O)CC5)cc4c3n2)c1
InChIInChI=1S/C24H24N4O4S2/c1-34(31,32)18-4-2-3-16(11-18)27-24-25-13-14-5-10-20-19(22(14)28-24)12-21(33-20)23(30)26-15-6-8-17(29)9-7-15/h2-5,10-13,15,17,29H,6-9H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyGJTYLWVDAFLPFH-UHFFFAOYSA-N
XLogP4.02
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide (CID 59262826) is N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide is CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NC5CCC(O)CC5)cc4c3n2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
The InChIKey is GJTYLWVDAFLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-34(31,32)18-4-2-3-16(11-18)27-24-25-13-14-5-10-20-19(22(14)28-24)12-21(33-20)23(30)26-15-6-8-17(29)9-7-15/h2-5,10-13,15,17,29H,6-9H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide is sourced from PubChem (CID 59262826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).