4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

C20H23N3O5S — CID 2552270

IUPAC4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H23N3O5S/c1-14-5-7-15(8-6-14)19(24)21-22-20(25)16-9-10-17(28-2)18(13-16)29(26,27)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJKIAYQSTVJODGX-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.86
Rot. Bonds5

About 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 2552270) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID2552270
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H23N3O5S/c1-14-5-7-15(8-6-14)19(24)21-22-20(25)16-9-10-17(28-2)18(13-16)29(26,27)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJKIAYQSTVJODGX-UHFFFAOYSA-N
XLogP1.86
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.86
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

4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
4-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 33341002
4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 4286298
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35028668
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 2552270) is 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is JKIAYQSTVJODGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-5-7-15(8-6-14)19(24)21-22-20(25)16-9-10-17(28-2)18(13-16)29(26,27)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 417.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2552270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).