N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide

C21H25NO4S — CID 91631322

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)Cc2ccccc2C1
InChIInChI=1S/C21H25NO4S/c1-26-21(13-17-5-3-4-6-18(17)14-21)15-22-20(23)12-9-16-7-10-19(11-8-16)27(2,24)25/h3-8,10-11H,9,12-15H2,1-2H3,(H,22,23)
InChIKeyNIUIYJXKWDOJBI-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.32
Rot. Bonds7

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 91631322) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID91631322
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)Cc2ccccc2C1
InChIInChI=1S/C21H25NO4S/c1-26-21(13-17-5-3-4-6-18(17)14-21)15-22-20(23)12-9-16-7-10-19(11-8-16)27(2,24)25/h3-8,10-11H,9,12-15H2,1-2H3,(H,22,23)
InChIKeyNIUIYJXKWDOJBI-UHFFFAOYSA-N
XLogP2.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-fluorophenyl)thio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631299
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(phenylthio)propanamide
CID 91631297
N-[(R)-2-methoxy-2-phenylbutyl][p-(isopropylsulfonyl)phenyl]acetamide
CID 97428604
N-(2-(2-fluorophenyl)-2-methoxypropyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 90599214
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 71782173
2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 56429873
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide
CID 60543597
2-(4-(isopropylsulfonyl)phenyl)-N-(2-methoxy-2-phenylbutyl)acetamide
CID 71810744
N-(2-methoxy-2-(o-tolyl)ethyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 90598833
N-(2-methoxy-2-phenylbutyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 90599601
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 91624539
N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 91631188

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide (CID 91631322) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide is COC1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is NIUIYJXKWDOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-26-21(13-17-5-3-4-6-18(17)14-21)15-22-20(23)12-9-16-7-10-19(11-8-16)27(2,24)25/h3-8,10-11H,9,12-15H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 387.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 91631322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).