(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C19H22N2O4S — CID 9188424

IUPAC(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C19H22N2O4S/c1-14-17-12-16(8-9-18(17)20-19(14)22)26(23,24)21(10-11-25-2)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeySPLIUYMQOHNQDQ-CQSZACIVSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds7

About (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188424) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9188424
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C19H22N2O4S/c1-14-17-12-16(8-9-18(17)20-19(14)22)26(23,24)21(10-11-25-2)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeySPLIUYMQOHNQDQ-CQSZACIVSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
CID 9186128
(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187654
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617
(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188492
N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
CID 25072280
N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550188
N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115318993
(3R)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186076
2-[ethyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9188307
2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9187775
[4-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4210374

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9188424) is (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is COCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2.
What is the InChIKey of (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is SPLIUYMQOHNQDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-17-12-16(8-9-18(17)20-19(14)22)26(23,24)21(10-11-25-2)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).