3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C20H23NOS — CID 8797217

IUPAC3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCSCc1ccccc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H23NOS/c22-20(13-14-23-15-16-7-2-1-3-8-16)21-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12H,4-5,9,11,13-15H2,(H,21,22)
InChIKeyDRFTVDMRBREQIX-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.83
Rot. Bonds6

About 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 8797217) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID8797217
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCSCc1ccccc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H23NOS/c22-20(13-14-23-15-16-7-2-1-3-8-16)21-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12H,4-5,9,11,13-15H2,(H,21,22)
InChIKeyDRFTVDMRBREQIX-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
2-(3-fluorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515848
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572
3-(3-benzylsulfanylpropanoylamino)benzoic acid
CID 21233262

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 8797217) is 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is O=C(CCSCc1ccccc1)Nc1cccc2c1CCCC2.
What is the InChIKey of 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is DRFTVDMRBREQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c22-20(13-14-23-15-16-7-2-1-3-8-16)21-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12H,4-5,9,11,13-15H2,(H,21,22).
What are the key properties of 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 325.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 8797217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).