N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine

C20H23N3O2S — CID 170954433

IUPACN-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCCS(=O)(=O)c1ccc(Nc2ncc3cccc(C(C)C)c3n2)c(C)c1
InChIInChI=1S/C20H23N3O2S/c1-5-26(24,25)16-9-10-18(14(4)11-16)22-20-21-12-15-7-6-8-17(13(2)3)19(15)23-20/h6-13H,5H2,1-4H3,(H,21,22,23)
InChIKeyDVGXMMMRJWAFAF-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.60
Rot. Bonds5

About N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine

N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine (PubChem CID 170954433) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine
PubChem CID170954433
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCCS(=O)(=O)c1ccc(Nc2ncc3cccc(C(C)C)c3n2)c(C)c1
InChIInChI=1S/C20H23N3O2S/c1-5-26(24,25)16-9-10-18(14(4)11-16)22-20-21-12-15-7-6-8-17(13(2)3)19(15)23-20/h6-13H,5H2,1-4H3,(H,21,22,23)
InChIKeyDVGXMMMRJWAFAF-UHFFFAOYSA-N
XLogP4.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(Naphthalen-2-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 25210880
2,4-Quinazolinediamine, 6-(phenylsulfonyl)-
CID 328137
N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233996
N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide
CID 39165458
N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride
CID 45261621
4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-N-phenylpyrimidin-2-amine
CID 45268625
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-(2-(dimethylamino)ethyl)benzenesulfonamide
CID 46871627
4-(5,6-Dihydrothieno[2,3-h]quinazolin-2-ylamino)benzenesulfonamide
CID 46890319
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-(3-(dimethylamino)propyl)benzenesulfonamide
CID 46890388
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 70681402
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide
CID 70685605
7-(2-Aminopyrimidin-4-yl)-4-(4-propan-2-ylsulfonylphenyl)isoquinolin-1-amine
CID 91800632

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine?
The IUPAC name of N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine (CID 170954433) is N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine?
The canonical SMILES for N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine is CCS(=O)(=O)c1ccc(Nc2ncc3cccc(C(C)C)c3n2)c(C)c1.
What is the InChIKey of N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine?
The InChIKey is DVGXMMMRJWAFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-26(24,25)16-9-10-18(14(4)11-16)22-20-21-12-15-7-6-8-17(13(2)3)19(15)23-20/h6-13H,5H2,1-4H3,(H,21,22,23).
What are the key properties of N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine?
N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine has a molecular weight of 369.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonyl-2-methylphenyl)-8-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 170954433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).