N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C20H24N2O4S — CID 46555724

IUPACN-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-26-13-12-21(15-16-6-4-3-5-7-16)20(23)18-8-9-19-17(14-18)10-11-22(19)27(2,24)25/h3-9,14H,10-13,15H2,1-2H3
InChIKeyKQPJTVHMVCBZOD-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.30
Rot. Bonds7

About N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46555724) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID46555724
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-26-13-12-21(15-16-6-4-3-5-7-16)20(23)18-8-9-19-17(14-18)10-11-22(19)27(2,24)25/h3-9,14H,10-13,15H2,1-2H3
InChIKeyKQPJTVHMVCBZOD-UHFFFAOYSA-N
XLogP2.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 32953929
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
CID 9227621
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
3-(azepan-1-ylsulfonyl)-N-benzyl-4-chloro-N-(2-methoxyethyl)benzamide
CID 26292081
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 31236388
1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903614

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 46555724) is N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is KQPJTVHMVCBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-13-12-21(15-16-6-4-3-5-7-16)20(23)18-8-9-19-17(14-18)10-11-22(19)27(2,24)25/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46555724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).