1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide

C20H20N4O4S — CID 8823945

IUPAC1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C20H20N4O4S/c1-23-13-17(16-5-2-3-6-18(16)23)20(26)21-22-29(27,28)15-10-8-14(9-11-15)24-12-4-7-19(24)25/h2-3,5-6,8-11,13,22H,4,7,12H2,1H3,(H,21,26)
InChIKeyHWSASONPSDEIIE-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.93
Rot. Bonds5

About 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide

1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide (PubChem CID 8823945) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
PubChem CID8823945
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C20H20N4O4S/c1-23-13-17(16-5-2-3-6-18(16)23)20(26)21-22-29(27,28)15-10-8-14(9-11-15)24-12-4-7-19(24)25/h2-3,5-6,8-11,13,22H,4,7,12H2,1H3,(H,21,26)
InChIKeyHWSASONPSDEIIE-UHFFFAOYSA-N
XLogP1.93
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.93
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

1-[4-[[(1-methylindole-3-carbonyl)amino]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55614780
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
2-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylfuran-3-carbohydrazide
CID 8823087
N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24563390
1-(1-methylindol-3-yl)pyrrolidin-2-one
CID 166081432
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40717487
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide (CID 8823945) is 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide is Cn1cc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide?
The InChIKey is HWSASONPSDEIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-23-13-17(16-5-2-3-6-18(16)23)20(26)21-22-29(27,28)15-10-8-14(9-11-15)24-12-4-7-19(24)25/h2-3,5-6,8-11,13,22H,4,7,12H2,1H3,(H,21,26).
What are the key properties of 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide?
1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide has a molecular weight of 412.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide is sourced from PubChem (CID 8823945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).