N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

C20H25NO4S — CID 110636060

IUPACN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1cc2c(cc1OC)C(CNS(=O)(=O)Cc1ccccc1C)CC2
InChIInChI=1S/C20H25NO4S/c1-14-6-4-5-7-17(14)13-26(22,23)21-12-16-9-8-15-10-19(24-2)20(25-3)11-18(15)16/h4-7,10-11,16,21H,8-9,12-13H2,1-3H3
InChIKeyJGMFETISXXLBPT-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.16
Rot. Bonds7

About N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110636060) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110636060
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1cc2c(cc1OC)C(CNS(=O)(=O)Cc1ccccc1C)CC2
InChIInChI=1S/C20H25NO4S/c1-14-6-4-5-7-17(14)13-26(22,23)21-12-16-9-8-15-10-19(24-2)20(25-3)11-18(15)16/h4-7,10-11,16,21H,8-9,12-13H2,1-3H3
InChIKeyJGMFETISXXLBPT-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
CID 110636042
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110407587
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 110399728
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide
CID 110636025
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110636033
1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887899

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110636060) is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is COc1cc2c(cc1OC)C(CNS(=O)(=O)Cc1ccccc1C)CC2.
What is the InChIKey of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is JGMFETISXXLBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14-6-4-5-7-17(14)13-26(22,23)21-12-16-9-8-15-10-19(24-2)20(25-3)11-18(15)16/h4-7,10-11,16,21H,8-9,12-13H2,1-3H3.
What are the key properties of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110636060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).