N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide

C20H25NO2S — CID 91499295

IUPACN-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCOc1cccc(Cc2ccc3c(c2)CCC3NS(=O)C(C)C)c1
InChIInChI=1S/C20H25NO2S/c1-14(2)24(22)21-20-10-8-17-12-16(7-9-19(17)20)11-15-5-4-6-18(13-15)23-3/h4-7,9,12-14,20-21H,8,10-11H2,1-3H3
InChIKeyYSOMXOIIPVLMLK-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.93
Rot. Bonds6

About N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide

N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (PubChem CID 91499295) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
PubChem CID91499295
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCOc1cccc(Cc2ccc3c(c2)CCC3NS(=O)C(C)C)c1
InChIInChI=1S/C20H25NO2S/c1-14(2)24(22)21-20-10-8-17-12-16(7-9-19(17)20)11-15-5-4-6-18(13-15)23-3/h4-7,9,12-14,20-21H,8,10-11H2,1-3H3
InChIKeyYSOMXOIIPVLMLK-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-yl)methyl]methanesulfonamide
CID 145982167
N-[(8-methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-yl)methyl]ethanesulfonamide
CID 145991111
7-Methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine;hydrochloride
CID 14030321
2-[(4-Methoxy-3-methyl-phenyl)methyl]indan-1-amine
CID 46230979
1,1,1-Trifluoro-N-((1S,2S)-2-((2-methoxy-6-methylphenyl)selanyl)-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 134959886
(R)-N-[(1S)-3-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]-2-methylpropane-2-sulfinamide
CID 135005881
7-Methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine
CID 14030320
N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 46935712
N-[5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68155880
N-[5-[[2-(trifluoromethyl)phenoxy]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68156011
N-[(2S)-5-[(2-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68186071
N-[1-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide
CID 69039823

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (CID 91499295) is N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.
What is the SMILES notation for N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The canonical SMILES for N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide is COc1cccc(Cc2ccc3c(c2)CCC3NS(=O)C(C)C)c1.
What is the InChIKey of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The InChIKey is YSOMXOIIPVLMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-14(2)24(22)21-20-10-8-17-12-16(7-9-19(17)20)11-15-5-4-6-18(13-15)23-3/h4-7,9,12-14,20-21H,8,10-11H2,1-3H3.
What are the key properties of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide has a molecular weight of 343.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 91499295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).