(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide

C22H25N5O4S — CID 51925984

IUPAC(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide
SMILESCCn1c(NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N5O4S/c1-2-26-21(29)17-12-6-7-13-18(17)23-22(26)25-24-20(28)19-14-8-9-15-27(19)32(30,31)16-10-4-3-5-11-16/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,23,25)(H,24,28)/t19-/m1/s1
InChIKeyPDKBTLXVCWILBN-LJQANCHMSA-N
MW455.54 g/mol
LogP2.10
Rot. Bonds6

About (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide

(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide (PubChem CID 51925984) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide
PubChem CID51925984
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide
SMILESCCn1c(NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N5O4S/c1-2-26-21(29)17-12-6-7-13-18(17)23-22(26)25-24-20(28)19-14-8-9-15-27(19)32(30,31)16-10-4-3-5-11-16/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,23,25)(H,24,28)/t19-/m1/s1
InChIKeyPDKBTLXVCWILBN-LJQANCHMSA-N
XLogP2.10
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide
CID 17475140
1-(2,2-dimethylpropanoyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-4-carbohydrazide
CID 18227266
N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55941901
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide (CID 51925984) is (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide is CCn1c(NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide?
The InChIKey is PDKBTLXVCWILBN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-2-26-21(29)17-12-6-7-13-18(17)23-22(26)25-24-20(28)19-14-8-9-15-27(19)32(30,31)16-10-4-3-5-11-16/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,23,25)(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide?
(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide has a molecular weight of 455.54 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide is sourced from PubChem (CID 51925984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).