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

C17H18N2O4S — CID 1085739

IUPACN-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1
InChIInChI=1S/C17H18N2O4S/c1-23-15-5-3-4-14(11-15)18-17(20)13-6-7-16-12(10-13)8-9-19(16)24(2,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)
InChIKeyBFLQHMUQNOMJDJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.27
Rot. Bonds4

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

N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 1085739) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID1085739
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1
InChIInChI=1S/C17H18N2O4S/c1-23-15-5-3-4-14(11-15)18-17(20)13-6-7-16-12(10-13)8-9-19(16)24(2,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)
InChIKeyBFLQHMUQNOMJDJ-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 1085739) is N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is BFLQHMUQNOMJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-23-15-5-3-4-14(11-15)18-17(20)13-6-7-16-12(10-13)8-9-19(16)24(2,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 1085739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).