2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

C20H21N3O3S — CID 55548430

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H21N3O3S/c1-22(27(25,26)17-10-7-15(13-21)8-11-17)14-20(24)23(2)19-12-9-16-5-3-4-6-18(16)19/h3-8,10-11,19H,9,12,14H2,1-2H3
InChIKeyCORJVERIHHZMFH-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.32
Rot. Bonds5

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (PubChem CID 55548430) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
PubChem CID55548430
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCc2ccccc21
InChIInChI=1S/C20H21N3O3S/c1-22(27(25,26)17-10-7-15(13-21)8-11-17)14-20(24)23(2)19-12-9-16-5-3-4-6-18(16)19/h3-8,10-11,19H,9,12,14H2,1-2H3
InChIKeyCORJVERIHHZMFH-UHFFFAOYSA-N
XLogP2.32
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42941451
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 55865233
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
CID 52500328
2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 134053335
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51936238
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9348705
cyclohexyl 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate
CID 24662229
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (CID 55548430) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCc2ccccc21.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The InChIKey is CORJVERIHHZMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22(27(25,26)17-10-7-15(13-21)8-11-17)14-20(24)23(2)19-12-9-16-5-3-4-6-18(16)19/h3-8,10-11,19H,9,12,14H2,1-2H3.
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide has a molecular weight of 383.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is sourced from PubChem (CID 55548430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).