2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide

C25H24N4O3S — CID 52662594

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1CN1CCc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C25H24N4O3S/c1-28(33(31,32)22-12-10-19(16-26)11-13-22)18-25(30)27-23-8-4-2-7-21(23)17-29-15-14-20-6-3-5-9-24(20)29/h2-13H,14-15,17-18H2,1H3,(H,27,30)
InChIKeySPVKRFAJDFUYSF-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.38
Rot. Bonds7

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide (PubChem CID 52662594) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
PubChem CID52662594
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1CN1CCc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C25H24N4O3S/c1-28(33(31,32)22-12-10-19(16-26)11-13-22)18-25(30)27-23-8-4-2-7-21(23)17-29-15-14-20-6-3-5-9-24(20)29/h2-13H,14-15,17-18H2,1H3,(H,27,30)
InChIKeySPVKRFAJDFUYSF-UHFFFAOYSA-N
XLogP3.38
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24664234
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55699584
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 24665455
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26943718
4-(diethylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55817209
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 129419104
methyl 1-[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]-2,3-dihydroindole-2-carboxylate
CID 56548240
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide (CID 52662594) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1CN1CCc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
The InChIKey is SPVKRFAJDFUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-28(33(31,32)22-12-10-19(16-26)11-13-22)18-25(30)27-23-8-4-2-7-21(23)17-29-15-14-20-6-3-5-9-24(20)29/h2-13H,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide has a molecular weight of 460.56 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 52662594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).