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

C17H26N2O4S — CID 32953929

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-13(2)12-18(9-10-23-3)17(20)15-5-6-16-14(11-15)7-8-19(16)24(4,21)22/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyJMZXYOGTOOZQAA-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.75
Rot. Bonds7

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

N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 32953929) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID32953929
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-13(2)12-18(9-10-23-3)17(20)15-5-6-16-14(11-15)7-8-19(16)24(4,21)22/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyJMZXYOGTOOZQAA-UHFFFAOYSA-N
XLogP1.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46555724
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998510
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
2-[methyl-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119209230
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9304056
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
3-(3-methoxypropyl)-1-methyl-1-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]thiourea
CID 9365663

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 32953929) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COCCN(CC(C)C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is JMZXYOGTOOZQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(2)12-18(9-10-23-3)17(20)15-5-6-16-14(11-15)7-8-19(16)24(4,21)22/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 32953929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).