N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide

C22H28N4O5S — CID 55350935

IUPACN'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28N4O5S/c1-16-11-13-26(14-12-16)32(29,30)20-9-3-17(4-10-20)22(28)25-24-21(27)15-23-18-5-7-19(31-2)8-6-18/h3-10,16,23H,11-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyARKQYZFNJRNPSF-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.99
Rot. Bonds7

About N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide

N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide (PubChem CID 55350935) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
PubChem CID55350935
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28N4O5S/c1-16-11-13-26(14-12-16)32(29,30)20-9-3-17(4-10-20)22(28)25-24-21(27)15-23-18-5-7-19(31-2)8-6-18/h3-10,16,23H,11-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyARKQYZFNJRNPSF-UHFFFAOYSA-N
XLogP1.99
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-[2-(4-methoxyanilino)acetyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55350678
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824089
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952216
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide (CID 55350935) is N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide is COc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The InChIKey is ARKQYZFNJRNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-16-11-13-26(14-12-16)32(29,30)20-9-3-17(4-10-20)22(28)25-24-21(27)15-23-18-5-7-19(31-2)8-6-18/h3-10,16,23H,11-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide has a molecular weight of 460.56 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 55350935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).