4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide

C21H25N3O6S — CID 4286298

IUPAC4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H25N3O6S/c1-15-7-3-4-8-17(15)30-14-20(25)22-23-21(26)16-9-10-18(29-2)19(13-16)31(27,28)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGUWSTEABKLOZEK-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.63
Rot. Bonds7

About 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide

4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 4286298) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID4286298
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H25N3O6S/c1-15-7-3-4-8-17(15)30-14-20(25)22-23-21(26)16-9-10-18(29-2)19(13-16)31(27,28)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGUWSTEABKLOZEK-UHFFFAOYSA-N
XLogP1.63
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2552270
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55643343
3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883151
4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 49366498
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 92647718

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 4286298) is 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide is COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is GUWSTEABKLOZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-15-7-3-4-8-17(15)30-14-20(25)22-23-21(26)16-9-10-18(29-2)19(13-16)31(27,28)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 447.51 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(2-methylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 4286298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).