N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide

C20H23N3O5S — CID 9093828

IUPACN'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O5S/c1-28-18-10-3-2-7-15(18)14-19(24)21-22-20(25)16-8-6-9-17(13-16)29(26,27)23-11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyKZRHYADUVISCSF-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.48
Rot. Bonds6

About N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide

N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 9093828) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID9093828
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O5S/c1-28-18-10-3-2-7-15(18)14-19(24)21-22-20(25)16-8-6-9-17(13-16)29(26,27)23-11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyKZRHYADUVISCSF-UHFFFAOYSA-N
XLogP1.48
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 30862218
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7719095
N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43009482
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
N'-[2-(2-benzylphenoxy)acetyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
CID 4830331
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 9093828) is N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide is COc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is KZRHYADUVISCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-28-18-10-3-2-7-15(18)14-19(24)21-22-20(25)16-8-6-9-17(13-16)29(26,27)23-11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 417.49 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 9093828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).