5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide

C20H23N5O4S — CID 24598230

IUPAC5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide
SMILESCCn1c(NNC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N5O4S/c1-5-25-19(27)15-8-6-7-9-16(15)22-20(25)24-23-18(26)14-10-12(2)13(3)17(11-14)30(28,29)21-4/h6-11,21H,5H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyFXWYFLFHBLLPBX-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.70
Rot. Bonds6

About 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide

5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide (PubChem CID 24598230) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide
PubChem CID24598230
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide
SMILESCCn1c(NNC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N5O4S/c1-5-25-19(27)15-8-6-7-9-16(15)22-20(25)24-23-18(26)14-10-12(2)13(3)17(11-14)30(28,29)21-4/h6-11,21H,5H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyFXWYFLFHBLLPBX-UHFFFAOYSA-N
XLogP1.70
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18139314
3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
CID 55940700
N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55941901
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
ethyl 1-ethyl-4-[(E)-3-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-3-oxoprop-1-enyl]-2,5-dimethylpyrrole-3-carboxylate
CID 55552882
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide?
The IUPAC name of 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide (CID 24598230) is 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide?
The canonical SMILES for 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide is CCn1c(NNC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)nc2ccccc2c1=O.
What is the InChIKey of 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide?
The InChIKey is FXWYFLFHBLLPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-5-25-19(27)15-8-6-7-9-16(15)22-20(25)24-23-18(26)14-10-12(2)13(3)17(11-14)30(28,29)21-4/h6-11,21H,5H2,1-4H3,(H,22,24)(H,23,26).
What are the key properties of 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide?
5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 24598230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).