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

C19H22N2O4S — CID 30236141

IUPAC1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-3-12-25-18-7-5-4-6-16(18)20-19(22)15-8-9-17-14(13-15)10-11-21(17)26(2,23)24/h4-9,13H,3,10-12H2,1-2H3,(H,20,22)
InChIKeyIWDJKYOMTZTGSK-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.05
Rot. Bonds6

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

1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 30236141) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID30236141
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-3-12-25-18-7-5-4-6-16(18)20-19(22)15-8-9-17-14(13-15)10-11-21(17)26(2,23)24/h4-9,13H,3,10-12H2,1-2H3,(H,20,22)
InChIKeyIWDJKYOMTZTGSK-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236152
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55881880
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
N-(5-bromo-2-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55905643
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 28544124
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
(2S)-N-(2-ethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603014
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-(2-propoxyphenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 24568564

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide (CID 30236141) is 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide is CCCOc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is IWDJKYOMTZTGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-12-25-18-7-5-4-6-16(18)20-19(22)15-8-9-17-14(13-15)10-11-21(17)26(2,23)24/h4-9,13H,3,10-12H2,1-2H3,(H,20,22).
What are the key properties of 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30236141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).