N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide

C22H22N4O3S2 — CID 59262646

IUPACN-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide
SMILESCC(C)N(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1
InChIInChI=1S/C22H22N4O3S2/c1-13(2)26(3)21(27)19-11-17-18(30-19)9-8-14-12-23-22(25-20(14)17)24-15-6-5-7-16(10-15)31(4,28)29/h5-13H,1-4H3,(H,23,24,25)
InChIKeyYHUANANYRWCJHO-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.47
Rot. Bonds5

About N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide

N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide (PubChem CID 59262646) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide
PubChem CID59262646
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC NameN-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide
SMILESCC(C)N(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1
InChIInChI=1S/C22H22N4O3S2/c1-13(2)26(3)21(27)19-11-17-18(30-19)9-8-14-12-23-22(25-20(14)17)24-15-6-5-7-16(10-15)31(4,28)29/h5-13H,1-4H3,(H,23,24,25)
InChIKeyYHUANANYRWCJHO-UHFFFAOYSA-N
XLogP4.47
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide?
The IUPAC name of N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide (CID 59262646) is N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide.
What is the SMILES notation for N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide?
The canonical SMILES for N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide is CC(C)N(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc32)s1.
What is the InChIKey of N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide?
The InChIKey is YHUANANYRWCJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-13(2)26(3)21(27)19-11-17-18(30-19)9-8-14-12-23-22(25-20(14)17)24-15-6-5-7-16(10-15)31(4,28)29/h5-13H,1-4H3,(H,23,24,25).
What are the key properties of N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide?
N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide is sourced from PubChem (CID 59262646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).