N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide

C33H29N5O4S — CID 54009569

IUPACN-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide
SMILESN#Cc1ccc(CC(NC(=O)c2cc3ccccc3n2S(=O)(=O)Nc2ccc3ccccc3c2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C33H29N5O4S/c34-22-24-13-11-23(12-14-24)19-29(33(40)37-17-5-6-18-37)35-32(39)31-21-27-9-3-4-10-30(27)38(31)43(41,42)36-28-16-15-25-7-1-2-8-26(25)20-28/h1-4,7-16,20-21,29,36H,5-6,17-19H2,(H,35,39)
InChIKeyKRIJACVDZBNGFB-UHFFFAOYSA-N
MW591.69 g/mol
LogP4.83
Rot. Bonds8

About N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide

N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide (PubChem CID 54009569) has the molecular formula C33H29N5O4S and a molecular weight of 591.69 g/mol. Its IUPAC name is N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide
PubChem CID54009569
Molecular FormulaC33H29N5O4S
Molecular Weight591.69 g/mol
Exact Mass591.19
IUPAC NameN-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide
SMILESN#Cc1ccc(CC(NC(=O)c2cc3ccccc3n2S(=O)(=O)Nc2ccc3ccccc3c2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C33H29N5O4S/c34-22-24-13-11-23(12-14-24)19-29(33(40)37-17-5-6-18-37)35-32(39)31-21-27-9-3-4-10-30(27)38(31)43(41,42)36-28-16-15-25-7-1-2-8-26(25)20-28/h1-4,7-16,20-21,29,36H,5-6,17-19H2,(H,35,39)
InChIKeyKRIJACVDZBNGFB-UHFFFAOYSA-N
XLogP4.83
TPSA124.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.69
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 67570715
(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 57226964
1-[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-2-carboxylic acid
CID 67912511
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide
CID 11037691
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
(2R)-3-[[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropanoic acid
CID 10257341
3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19608647
N-[(2R)-1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 31118974
N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
CID 4406

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide?
The IUPAC name of N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide (CID 54009569) is N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide?
The canonical SMILES for N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide is N#Cc1ccc(CC(NC(=O)c2cc3ccccc3n2S(=O)(=O)Nc2ccc3ccccc3c2)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide?
The InChIKey is KRIJACVDZBNGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O4S/c34-22-24-13-11-23(12-14-24)19-29(33(40)37-17-5-6-18-37)35-32(39)31-21-27-9-3-4-10-30(27)38(31)43(41,42)36-28-16-15-25-7-1-2-8-26(25)20-28/h1-4,7-16,20-21,29,36H,5-6,17-19H2,(H,35,39).
What are the key properties of N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide?
N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide has a molecular weight of 591.69 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide is sourced from PubChem (CID 54009569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).