5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide

C23H32N4O6S — CID 55529155

IUPAC5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C23H32N4O6S/c1-3-26(4-2)17-19-8-11-21(33-19)23(29)25-24-22(28)12-7-18-5-9-20(10-6-18)34(30,31)27-13-15-32-16-14-27/h5-6,8-11H,3-4,7,12-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyALPYUQAYCAURKF-UHFFFAOYSA-N
MW492.60 g/mol
LogP1.54
Rot. Bonds10

About 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide

5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide (PubChem CID 55529155) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide
PubChem CID55529155
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC Name5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C23H32N4O6S/c1-3-26(4-2)17-19-8-11-21(33-19)23(29)25-24-22(28)12-7-18-5-9-20(10-6-18)34(30,31)27-13-15-32-16-14-27/h5-6,8-11H,3-4,7,12-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyALPYUQAYCAURKF-UHFFFAOYSA-N
XLogP1.54
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide?
The IUPAC name of 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide (CID 55529155) is 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide?
The canonical SMILES for 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1.
What is the InChIKey of 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide?
The InChIKey is ALPYUQAYCAURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-3-26(4-2)17-19-8-11-21(33-19)23(29)25-24-22(28)12-7-18-5-9-20(10-6-18)34(30,31)27-13-15-32-16-14-27/h5-6,8-11H,3-4,7,12-17H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide?
5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide has a molecular weight of 492.60 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide is sourced from PubChem (CID 55529155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).