N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C18H20N2O4S — CID 1085725

IUPACN-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-24-16-7-5-15(6-8-16)19-18(21)14-4-9-17-13(12-14)10-11-20(17)25(2,22)23/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyGXNSLDYOGYMHFQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.66
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 1085725) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID1085725
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-24-16-7-5-15(6-8-16)19-18(21)14-4-9-17-13(12-14)10-11-20(17)25(2,22)23/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyGXNSLDYOGYMHFQ-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 1085725) is N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is GXNSLDYOGYMHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-24-16-7-5-15(6-8-16)19-18(21)14-4-9-17-13(12-14)10-11-20(17)25(2,22)23/h4-9,12H,3,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 1085725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).