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

C20H23NOS — CID 133191909

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESCC(NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H23NOS/c1-15(17-11-10-16-6-5-7-18(16)14-17)21-20(22)12-13-23-19-8-3-2-4-9-19/h2-4,8-11,14-15H,5-7,12-13H2,1H3,(H,21,22)
InChIKeySWKMDAXEBGPQTL-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.53
Rot. Bonds6

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

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 133191909) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
PubChem CID133191909
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESCC(NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H23NOS/c1-15(17-11-10-16-6-5-7-18(16)14-17)21-20(22)12-13-23-19-8-3-2-4-9-19/h2-4,8-11,14-15H,5-7,12-13H2,1H3,(H,21,22)
InChIKeySWKMDAXEBGPQTL-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
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3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
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N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
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3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
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N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
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2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
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3-(2-aminophenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 120608273
3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
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3-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide (CID 133191909) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide is CC(NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is SWKMDAXEBGPQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-15(17-11-10-16-6-5-7-18(16)14-17)21-20(22)12-13-23-19-8-3-2-4-9-19/h2-4,8-11,14-15H,5-7,12-13H2,1H3,(H,21,22).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 325.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 133191909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).