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

C23H24N2O4S — CID 55567472

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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Related Compounds

(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide
CID 42932764
2-methyl-1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903871
(2S)-N-(3-methoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452577
(2S)-N-(furan-2-ylmethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9034464
(2S)-2-methyl-1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 9483091
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626
(2S)-2-methyl-1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 9143339
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9481018

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).