2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide

C23H26N2O4S — CID 55865233

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C2CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C23H26N2O4S/c1-16(26)17-7-12-20(13-8-17)30(28,29)24(2)15-23(27)25(19-10-11-19)22-14-9-18-5-3-4-6-21(18)22/h3-8,12-13,19,22H,9-11,14-15H2,1-2H3
InChIKeyIZODWGBCLRHOMQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.19
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 55865233) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID55865233
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C2CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C23H26N2O4S/c1-16(26)17-7-12-20(13-8-17)30(28,29)24(2)15-23(27)25(19-10-11-19)22-14-9-18-5-3-4-6-21(18)22/h3-8,12-13,19,22H,9-11,14-15H2,1-2H3
InChIKeyIZODWGBCLRHOMQ-UHFFFAOYSA-N
XLogP3.19
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51936238
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42941451
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 55548430
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51936085
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide
CID 71925231
2-chloro-N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 60522229
N-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylsulfamoyl]phenyl]acetamide
CID 36581354
N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
CID 55864349
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxybutanamide;hydrochloride
CID 120589829
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 55865233) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C2CC2)C2CCc3ccccc32)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is IZODWGBCLRHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16(26)17-7-12-20(13-8-17)30(28,29)24(2)15-23(27)25(19-10-11-19)22-14-9-18-5-3-4-6-21(18)22/h3-8,12-13,19,22H,9-11,14-15H2,1-2H3.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 55865233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).