3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide

C22H27N3O6S — CID 26621859

IUPAC3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC
InChIInChI=1S/C22H27N3O6S/c1-3-13-31-19-10-9-17(15-20(19)30-2)22(27)24-23-21(26)16-7-6-8-18(14-16)32(28,29)25-11-4-5-12-25/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGCPGSGWHHFZVKN-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.34
Rot. Bonds8

About 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide

3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 26621859) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
PubChem CID26621859
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC
InChIInChI=1S/C22H27N3O6S/c1-3-13-31-19-10-9-17(15-20(19)30-2)22(27)24-23-21(26)16-7-6-8-18(14-16)32(28,29)25-11-4-5-12-25/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGCPGSGWHHFZVKN-UHFFFAOYSA-N
XLogP2.34
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.34
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

N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43009482
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55895644
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 26621722
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 30862218
N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9093828
N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 26620956
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 25443222
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide (CID 26621859) is 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC.
What is the InChIKey of 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is GCPGSGWHHFZVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-3-13-31-19-10-9-17(15-20(19)30-2)22(27)24-23-21(26)16-7-6-8-18(14-16)32(28,29)25-11-4-5-12-25/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 461.54 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 26621859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).