ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate

C18H20N2O4S — CID 28962182

IUPACethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-24-18(21)19-15-8-10-16(11-9-15)25(22,23)20-13(2)12-14-6-4-5-7-17(14)20/h4-11,13H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyHYXLBBKINWQHGX-ZDUSSCGKSA-N
MW360.44 g/mol
LogP3.39
Rot. Bonds4

About ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate

ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate (PubChem CID 28962182) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
PubChem CID28962182
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Nameethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-24-18(21)19-15-8-10-16(11-9-15)25(22,23)20-13(2)12-14-6-4-5-7-17(14)20/h4-11,13H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyHYXLBBKINWQHGX-ZDUSSCGKSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42992372
methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
CID 2998844
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate
CID 133158900
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375
[2-(4-carbamoylanilino)-2-oxoethyl] 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2092411
[2-(4-iodoanilino)-2-oxoethyl] 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2350003
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2336693
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate (CID 28962182) is ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1.
What is the InChIKey of ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate?
The InChIKey is HYXLBBKINWQHGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-24-18(21)19-15-8-10-16(11-9-15)25(22,23)20-13(2)12-14-6-4-5-7-17(14)20/h4-11,13H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate?
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate has a molecular weight of 360.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate is sourced from PubChem (CID 28962182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).