N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C20H23N3O4S — CID 52565667

IUPACN-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCCc1ccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C(C)C)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-13-5-7-14(8-6-13)18(12(2)3)23-28(26,27)15-9-10-17-16(11-15)19(24)22-20(25)21-17/h5-12,18,23H,4H2,1-3H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyQQBKEJYZKDARKU-GOSISDBHSA-N
MW401.49 g/mol
LogP2.45
Rot. Bonds6

About N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 52565667) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID52565667
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCCc1ccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C(C)C)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-13-5-7-14(8-6-13)18(12(2)3)23-28(26,27)15-9-10-17-16(11-15)19(24)22-20(25)21-17/h5-12,18,23H,4H2,1-3H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyQQBKEJYZKDARKU-GOSISDBHSA-N
XLogP2.45
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565668
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 42947085
N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034377
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 119986757
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 119986756
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110419561
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55914416
N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 166302689

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 52565667) is N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is CCc1ccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is QQBKEJYZKDARKU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-13-5-7-14(8-6-13)18(12(2)3)23-28(26,27)15-9-10-17-16(11-15)19(24)22-20(25)21-17/h5-12,18,23H,4H2,1-3H3,(H2,21,22,24,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 52565667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).