2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide

C18H18N2O4S — CID 58765450

IUPAC2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cc1cccc2c1CCN2C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-25(23,24)19-17(21)12-14-8-5-9-16-15(14)10-11-20(16)18(22)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyLFKRFHIJKDRSSN-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.51
Rot. Bonds4

About 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide

2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide (PubChem CID 58765450) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
PubChem CID58765450
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)Cc1cccc2c1CCN2C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-25(23,24)19-17(21)12-14-8-5-9-16-15(14)10-11-20(16)18(22)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyLFKRFHIJKDRSSN-UHFFFAOYSA-N
XLogP1.51
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 26681045
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
1-(4-fluorobenzoyl)-N-methyl-2,3-dihydroindole-4-carboxamide
CID 53160037
2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide
CID 175168661

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide?
The IUPAC name of 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide (CID 58765450) is 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)Cc1cccc2c1CCN2C(=O)c1ccccc1.
What is the InChIKey of 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide?
The InChIKey is LFKRFHIJKDRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-25(23,24)19-17(21)12-14-8-5-9-16-15(14)10-11-20(16)18(22)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide?
2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide has a molecular weight of 358.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide is sourced from PubChem (CID 58765450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).