N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide

C20H24N2O3S — CID 51323616

IUPACN-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-15(2)21(14-16-7-5-4-6-8-16)20(23)18-9-10-19-17(13-18)11-12-22(19)26(3,24)25/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyDFWHSMYGPCOTHG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.06
Rot. Bonds5

About N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide

N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide (PubChem CID 51323616) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
PubChem CID51323616
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-15(2)21(14-16-7-5-4-6-8-16)20(23)18-9-10-19-17(13-18)11-12-22(19)26(3,24)25/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyDFWHSMYGPCOTHG-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46555724
N-[(4-cyanophenyl)methyl]-1-methylsulfonyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78853351
2-[methyl-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119209230
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
CID 9227621
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 34577851
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide (CID 51323616) is N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The InChIKey is DFWHSMYGPCOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(2)21(14-16-7-5-4-6-8-16)20(23)18-9-10-19-17(13-18)11-12-22(19)26(3,24)25/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51323616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).