(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide

C18H18N2O3S — CID 100855396

IUPAC(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(/C=C\S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-6-8-14(9-7-13)10-11-24(22,23)20-16-5-3-2-4-15(16)12-17(20)18(19)21/h2-11,17H,12H2,1H3,(H2,19,21)/b11-10-/t17-/m0/s1
InChIKeyXRFPWJMAALBCLN-MQNTZWLQSA-N
MW342.42 g/mol
LogP2.21
Rot. Bonds4

About (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 100855396) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID100855396
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCc1ccc(/C=C\S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-6-8-14(9-7-13)10-11-24(22,23)20-16-5-3-2-4-15(16)12-17(20)18(19)21/h2-11,17H,12H2,1H3,(H2,19,21)/b11-10-/t17-/m0/s1
InChIKeyXRFPWJMAALBCLN-MQNTZWLQSA-N
XLogP2.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole
CID 6212461
1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 126802773
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271
(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606488
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
2-acetyl-2,3-dihydroindole-1-sulfonic acid
CID 70189483
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide (CID 100855396) is (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide is Cc1ccc(/C=C\S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is XRFPWJMAALBCLN-MQNTZWLQSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-6-8-14(9-7-13)10-11-24(22,23)20-16-5-3-2-4-15(16)12-17(20)18(19)21/h2-11,17H,12H2,1H3,(H2,19,21)/b11-10-/t17-/m0/s1.
What are the key properties of (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 100855396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).