1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide

C19H18N2O3S — CID 51325795

IUPAC1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NCC#Cc3ccccc3)ccc21
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)21-13-11-16-14-17(9-10-18(16)21)19(22)20-12-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyKDOSORVOXWVIMT-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.79
Rot. Bonds3

About 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide

1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 51325795) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide
PubChem CID51325795
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NCC#Cc3ccccc3)ccc21
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)21-13-11-16-14-17(9-10-18(16)21)19(22)20-12-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyKDOSORVOXWVIMT-UHFFFAOYSA-N
XLogP1.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
2-[2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242130
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
1-methylsulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46600123
1-methylsulfonyl-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,3-dihydroindole-5-carboxamide
CID 100765088
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903614
1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
CID 9227621
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
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-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide (CID 51325795) is 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)NCC#Cc3ccccc3)ccc21.
What is the InChIKey of 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is KDOSORVOXWVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-25(23,24)21-13-11-16-14-17(9-10-18(16)21)19(22)20-12-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,11-13H2,1H3,(H,20,22).
What are the key properties of 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide?
1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51325795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).