N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide

C21H24N6O5S — CID 4672467

IUPACN-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C21H24N6O5S/c1-14(28)22-15-8-10-16(11-9-15)33(31,32)26(2)13-21(30)25-24-20(29)12-19-23-17-6-4-5-7-18(17)27(19)3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,24,29)(H,25,30)
InChIKeyJOVIAOIXEXWOAN-UHFFFAOYSA-N
MW472.53 g/mol
LogP0.54
Rot. Bonds7

About N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide

N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide (PubChem CID 4672467) has the molecular formula C21H24N6O5S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
PubChem CID4672467
Molecular FormulaC21H24N6O5S
Molecular Weight472.53 g/mol
Exact Mass472.15
IUPAC NameN-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C21H24N6O5S/c1-14(28)22-15-8-10-16(11-9-15)33(31,32)26(2)13-21(30)25-24-20(29)12-19-23-17-6-4-5-7-18(17)27(19)3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,24,29)(H,25,30)
InChIKeyJOVIAOIXEXWOAN-UHFFFAOYSA-N
XLogP0.54
TPSA142.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 50.54
H-Bond Donors ≤ 53
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 N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide (CID 4672467) is N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is JOVIAOIXEXWOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5S/c1-14(28)22-15-8-10-16(11-9-15)33(31,32)26(2)13-21(30)25-24-20(29)12-19-23-17-6-4-5-7-18(17)27(19)3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,24,29)(H,25,30).
What are the key properties of N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 472.53 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4672467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).