N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide

C19H21NOS — CID 94487723

IUPACN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H21NOS/c1-13(15-11-10-14-6-5-7-16(14)12-15)20-19(21)17-8-3-4-9-18(17)22-2/h3-4,8-13H,5-7H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFAMFDYOOLPJYPS-ZDUSSCGKSA-N
MW311.45 g/mol
LogP4.39
Rot. Bonds4

About N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 94487723) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
PubChem CID94487723
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H21NOS/c1-13(15-11-10-14-6-5-7-16(14)12-15)20-19(21)17-8-3-4-9-18(17)22-2/h3-4,8-13H,5-7H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFAMFDYOOLPJYPS-ZDUSSCGKSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 99644786
2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 24688126
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 155946145
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
CID 133191909
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133189144

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide (CID 94487723) is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is FAMFDYOOLPJYPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21NOS/c1-13(15-11-10-14-6-5-7-16(14)12-15)20-19(21)17-8-3-4-9-18(17)22-2/h3-4,8-13H,5-7H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide?
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 311.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 94487723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).