2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide

C21H22N4O3S — CID 51956796

IUPAC2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N4O3S/c1-25-12-4-7-20(25)24-29(27,28)17-10-8-16(9-11-17)23-21(26)13-15-14-22-19-6-3-2-5-18(15)19/h2-3,5-6,8-11,14,22H,4,7,12-13H2,1H3,(H,23,26)
InChIKeyBKEDKKMLCLWSKC-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.16
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide

2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide (PubChem CID 51956796) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
PubChem CID51956796
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N4O3S/c1-25-12-4-7-20(25)24-29(27,28)17-10-8-16(9-11-17)23-21(26)13-15-14-22-19-6-3-2-5-18(15)19/h2-3,5-6,8-11,14,22H,4,7,12-13H2,1H3,(H,23,26)
InChIKeyBKEDKKMLCLWSKC-UHFFFAOYSA-N
XLogP3.16
TPSA94.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 134058131
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-phenylbutanamide
CID 55801696
4-methoxy-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]butanamide
CID 55801729
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 55968842
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 112986190
2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
CID 110743293
2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
CID 112985524
N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60558045
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide (CID 51956796) is 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide is CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
The InChIKey is BKEDKKMLCLWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-25-12-4-7-20(25)24-29(27,28)17-10-8-16(9-11-17)23-21(26)13-15-14-22-19-6-3-2-5-18(15)19/h2-3,5-6,8-11,14,22H,4,7,12-13H2,1H3,(H,23,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide?
2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide is sourced from PubChem (CID 51956796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).