N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

C19H21N5O4S — CID 55941901

IUPACN-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCCn1c(NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O4S/c1-3-24-18(26)15-11-7-8-12-16(15)20-19(24)22-21-17(25)13(2)23-29(27,28)14-9-5-4-6-10-14/h4-13,23H,3H2,1-2H3,(H,20,22)(H,21,25)/t13-/m0/s1
InChIKeyHLTRJIWWVKKSNU-ZDUSSCGKSA-N
MW415.48 g/mol
LogP1.23
Rot. Bonds7

About N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 55941901) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID55941901
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC NameN-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCCn1c(NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O4S/c1-3-24-18(26)15-11-7-8-12-16(15)20-19(24)22-21-17(25)13(2)23-29(27,28)14-9-5-4-6-10-14/h4-13,23H,3H2,1-2H3,(H,20,22)(H,21,25)/t13-/m0/s1
InChIKeyHLTRJIWWVKKSNU-ZDUSSCGKSA-N
XLogP1.23
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 55561640
N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 24574726
2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 55576050
(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide
CID 51925984
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide
CID 24598230
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (CID 55941901) is N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is CCn1c(NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is HLTRJIWWVKKSNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-3-24-18(26)15-11-7-8-12-16(15)20-19(24)22-21-17(25)13(2)23-29(27,28)14-9-5-4-6-10-14/h4-13,23H,3H2,1-2H3,(H,20,22)(H,21,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 415.48 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 55941901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).