N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide

C18H19NO2S — CID 2124983

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NO2S/c1-21-17-11-15(22-2)8-9-16(17)18(20)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H,19,20)
InChIKeyLHUOLVDDERDQNF-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.16
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide

N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 2124983) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID2124983
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NO2S/c1-21-17-11-15(22-2)8-9-16(17)18(20)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H,19,20)
InChIKeyLHUOLVDDERDQNF-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014061
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
N-[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2922181
4-acetamido-5-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-methoxybenzamide
CID 17312287
N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 670804
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 17320710
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
CID 7767577
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9301220

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide (CID 2124983) is N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is LHUOLVDDERDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-21-17-11-15(22-2)8-9-16(17)18(20)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 2124983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).