N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide

C20H24N2O4S — CID 51219316

IUPACN,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)CCOc3ccccc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-15-13-17-14-16(9-10-19(17)22(15)27(3,24)25)20(23)21(2)11-12-26-18-7-5-4-6-8-18/h4-10,14-15H,11-13H2,1-3H3
InChIKeyXADAAGXGVKWTLY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.55
Rot. Bonds6

About N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide

N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 51219316) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID51219316
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)CCOc3ccccc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-15-13-17-14-16(9-10-19(17)22(15)27(3,24)25)20(23)21(2)11-12-26-18-7-5-4-6-8-18/h4-10,14-15H,11-13H2,1-3H3
InChIKeyXADAAGXGVKWTLY-UHFFFAOYSA-N
XLogP2.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31641684
N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55814145
(2R)-N,2-dimethyl-N-[(4-methylphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51906979
(2R)-N-(furan-2-ylmethyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27739678
N,2-dimethyl-1-methylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46420837
2-methyl-1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903871
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(2R)-2-methyl-N-[2-(3-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9224172
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17496244
(2S)-N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 30796606
2-[cyclopropyl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]acetic acid
CID 125146961
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9064015

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide (CID 51219316) is N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)N(C)CCOc3ccccc3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is XADAAGXGVKWTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-13-17-14-16(9-10-19(17)22(15)27(3,24)25)20(23)21(2)11-12-26-18-7-5-4-6-8-18/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide?
N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51219316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).