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N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C23H24N2O4S — CID 55567472

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc2ccccc2c1CNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C23H24N2O4S/c1-15-12-18-13-17(8-10-21(18)25(15)30(3,27)28)23(26)24-14-20-19-7-5-4-6-16(19)9-11-22(20)29-2/h4-11,13,15H,12,14H2,1-3H3,(H,24,26)
InChIKeyPVBNDRMOTHDPGJ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.49
Rot. Bonds5

About N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55567472) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55567472
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc2ccccc2c1CNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C23H24N2O4S/c1-15-12-18-13-17(8-10-21(18)25(15)30(3,27)28)23(26)24-14-20-19-7-5-4-6-16(19)9-11-22(20)29-2/h4-11,13,15H,12,14H2,1-3H3,(H,24,26)
InChIKeyPVBNDRMOTHDPGJ-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55567472) is N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COc1ccc2ccccc2c1CNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is PVBNDRMOTHDPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-12-18-13-17(8-10-21(18)25(15)30(3,27)28)23(26)24-14-20-19-7-5-4-6-16(19)9-11-22(20)29-2/h4-11,13,15H,12,14H2,1-3H3,(H,24,26).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55567472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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