N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide

C16H19NO2S — CID 103767307

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCSCCCO)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c18-10-4-11-20-12-9-17-16(19)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,18H,4,9-12H2,(H,17,19)
InChIKeyGICPKZMUTRWDBL-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide (PubChem CID 103767307) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
PubChem CID103767307
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCSCCCO)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c18-10-4-11-20-12-9-17-16(19)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,18H,4,9-12H2,(H,17,19)
InChIKeyGICPKZMUTRWDBL-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide
CID 18287141
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
2-(difluoromethylsulfanyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800613
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylbenzamide
CID 106308543
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 103767277
2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767466
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methyl-2-nitrobenzamide
CID 103767357
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridine-2-carboxamide
CID 103879701
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
CID 103767492
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide (CID 103767307) is N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide is O=C(NCCSCCCO)c1cccc2ccccc12.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide?
The InChIKey is GICPKZMUTRWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-10-4-11-20-12-9-17-16(19)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,18H,4,9-12H2,(H,17,19).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 103767307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).