4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide

C21H27N3O4S — CID 9156253

IUPAC4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-24(5-2)18-10-8-17(9-11-18)21(26)23-22-20(25)14-15-29(27,28)19-12-6-16(3)7-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyCTOKMBULENCXOC-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.47
Rot. Bonds8

About 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide

4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide (PubChem CID 9156253) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
PubChem CID9156253
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-24(5-2)18-10-8-17(9-11-18)21(26)23-22-20(25)14-15-29(27,28)19-12-6-16(3)7-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyCTOKMBULENCXOC-UHFFFAOYSA-N
XLogP2.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.47
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-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
CID 24636864
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168537
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
CID 9155961
4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
CID 78888892
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
CID 9156259
N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
CID 9156474
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7434489

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
The IUPAC name of 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide (CID 9156253) is 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide.
What is the SMILES notation for 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
The canonical SMILES for 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
The InChIKey is CTOKMBULENCXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-24(5-2)18-10-8-17(9-11-18)21(26)23-22-20(25)14-15-29(27,28)19-12-6-16(3)7-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide?
4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide has a molecular weight of 417.53 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide is sourced from PubChem (CID 9156253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).