2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide

C21H22N4O3S — CID 60557496

IUPAC2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1
InChIInChI=1S/C21H22N4O3S/c1-14-20(17-9-3-4-10-18(17)22-14)21(26)23-15-7-5-8-16(13-15)29(27,28)24-19-11-6-12-25(19)2/h3-5,7-10,13,22H,6,11-12H2,1-2H3,(H,23,26)/b24-19+
InChIKeyHXGUNKPVJHJUCJ-LYBHJNIJSA-N
MW410.50 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide

2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide (PubChem CID 60557496) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide
PubChem CID60557496
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1
InChIInChI=1S/C21H22N4O3S/c1-14-20(17-9-3-4-10-18(17)22-14)21(26)23-15-7-5-8-16(13-15)29(27,28)24-19-11-6-12-25(19)2/h3-5,7-10,13,22H,6,11-12H2,1-2H3,(H,23,26)/b24-19+
InChIKeyHXGUNKPVJHJUCJ-LYBHJNIJSA-N
XLogP3.54
TPSA94.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.54
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

N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-methylsulfonylbenzamide
CID 51957722
2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
CID 55882150
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-propan-2-ylbenzamide
CID 55881637
4-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1,3-thiazole-5-carboxamide
CID 60530494
2-(N-methylanilino)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60530575
N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
CID 76867418
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-1H-indole-3-carboxamide
CID 26720242
2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide
CID 26739273
5-fluoro-N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-1H-indole-2-carboxamide
CID 76868188
4-(cyclopropylcarbamoylamino)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 55880367
N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide
CID 55768322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide (CID 60557496) is 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1.
What is the InChIKey of 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide?
The InChIKey is HXGUNKPVJHJUCJ-LYBHJNIJSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-20(17-9-3-4-10-18(17)22-14)21(26)23-15-7-5-8-16(13-15)29(27,28)24-19-11-6-12-25(19)2/h3-5,7-10,13,22H,6,11-12H2,1-2H3,(H,23,26)/b24-19+.
What are the key properties of 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide?
2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 60557496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).