2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide

C24H25ClN4O4S — CID 24791584

IUPAC2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
SMILESCN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H25ClN4O4S/c1-27(2)34(32,33)29-16-17(18-9-4-6-12-22(18)29)15-21(24(31)28-13-7-8-14-28)26-23(30)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,26,30)/b21-15-
InChIKeyBIXGZFSUBFKXTC-QNGOZBTKSA-N
MW501.01 g/mol
LogP3.34
Rot. Bonds6

About 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide

2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 24791584) has the molecular formula C24H25ClN4O4S and a molecular weight of 501.01 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
PubChem CID24791584
Molecular FormulaC24H25ClN4O4S
Molecular Weight501.01 g/mol
Exact Mass500.13
IUPAC Name2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
SMILESCN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H25ClN4O4S/c1-27(2)34(32,33)29-16-17(18-9-4-6-12-22(18)29)15-21(24(31)28-13-7-8-14-28)26-23(30)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,26,30)/b21-15-
InChIKeyBIXGZFSUBFKXTC-QNGOZBTKSA-N
XLogP3.34
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 24791588
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-4-methylbenzamide
CID 24791570
N-[(Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262034
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-methylbenzamide
CID 46262033
N-[1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
CID 3591559
N-[1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4859971
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]-2-methoxybenzamide
CID 46262037
N-[(E)-3-(azepan-1-yl)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 7460248
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 46262083
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
CID 24791586
N-[1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3615880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide (CID 24791584) is 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide is CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is BIXGZFSUBFKXTC-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H25ClN4O4S/c1-27(2)34(32,33)29-16-17(18-9-4-6-12-22(18)29)15-21(24(31)28-13-7-8-14-28)26-23(30)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,26,30)/b21-15-.
What are the key properties of 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 501.01 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 24791584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).