N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide

C23H29N5O5S — CID 24736793

IUPACN-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCN(c2c(NC3CC3)c(=O)c2=O)C1
InChIInChI=1S/C23H29N5O5S/c1-26(2)34(32,33)17-7-8-18-14(12-17)9-11-28(18)23(31)25-16-4-3-10-27(13-16)20-19(21(29)22(20)30)24-15-5-6-15/h7-8,12,15-16,24H,3-6,9-11,13H2,1-2H3,(H,25,31)
InChIKeyVLKQRTPEPLHKJY-UHFFFAOYSA-N
MW487.58 g/mol
LogP0.85
Rot. Bonds6

About N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide

N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 24736793) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
PubChem CID24736793
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC NameN-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCN(c2c(NC3CC3)c(=O)c2=O)C1
InChIInChI=1S/C23H29N5O5S/c1-26(2)34(32,33)17-7-8-18-14(12-17)9-11-28(18)23(31)25-16-4-3-10-27(13-16)20-19(21(29)22(20)30)24-15-5-6-15/h7-8,12,15-16,24H,3-6,9-11,13H2,1-2H3,(H,25,31)
InChIKeyVLKQRTPEPLHKJY-UHFFFAOYSA-N
XLogP0.85
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 24736898
5-(dimethylsulfamoyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736632
N-cyclopropyl-5-hydroxy-2,3-dihydroindole-1-carboxamide
CID 153363202
N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 133168267
N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736718
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 43926350
1-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561320

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide (CID 24736793) is N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCN(c2c(NC3CC3)c(=O)c2=O)C1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is VLKQRTPEPLHKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-26(2)34(32,33)17-7-8-18-14(12-17)9-11-28(18)23(31)25-16-4-3-10-27(13-16)20-19(21(29)22(20)30)24-15-5-6-15/h7-8,12,15-16,24H,3-6,9-11,13H2,1-2H3,(H,25,31).
What are the key properties of N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).