1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide

C17H18N2O4S — CID 9227621

IUPAC1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NOCc3ccccc3)ccc21
InChIInChI=1S/C17H18N2O4S/c1-24(21,22)19-10-9-14-11-15(7-8-16(14)19)17(20)18-23-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyJWEZAQWSIMCURD-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.87
Rot. Bonds5

About 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide

1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide (PubChem CID 9227621) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
PubChem CID9227621
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NOCc3ccccc3)ccc21
InChIInChI=1S/C17H18N2O4S/c1-24(21,22)19-10-9-14-11-15(7-8-16(14)19)17(20)18-23-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyJWEZAQWSIMCURD-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903614
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
1-methylsulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46600123
1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide
CID 51325795
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46555724
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178
2,2-dimethyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119249841
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide (CID 9227621) is 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)NOCc3ccccc3)ccc21.
What is the InChIKey of 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide?
The InChIKey is JWEZAQWSIMCURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-24(21,22)19-10-9-14-11-15(7-8-16(14)19)17(20)18-23-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide?
1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 9227621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).