N-naphthalen-1-yl-4-sulfanylbenzamide

C17H13NOS — CID 107019782

IUPACN-naphthalen-1-yl-4-sulfanylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(S)cc1
InChIInChI=1S/C17H13NOS/c19-17(13-8-10-14(20)11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
InChIKeyFIEWJVPMBWIVDC-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.38
Rot. Bonds2

About N-naphthalen-1-yl-4-sulfanylbenzamide

N-naphthalen-1-yl-4-sulfanylbenzamide (PubChem CID 107019782) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-sulfanylbenzamide
PubChem CID107019782
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC NameN-naphthalen-1-yl-4-sulfanylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(S)cc1
InChIInChI=1S/C17H13NOS/c19-17(13-8-10-14(20)11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
InChIKeyFIEWJVPMBWIVDC-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843
N-(2-iodophenyl)-4-sulfanylbenzamide
CID 107022140
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682
4-(5-acetyl-2-pyridinyl)-N-naphthalen-1-ylbenzamide
CID 170421596
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-sulfanylbenzamide?
The IUPAC name of N-naphthalen-1-yl-4-sulfanylbenzamide (CID 107019782) is N-naphthalen-1-yl-4-sulfanylbenzamide.
What is the SMILES notation for N-naphthalen-1-yl-4-sulfanylbenzamide?
The canonical SMILES for N-naphthalen-1-yl-4-sulfanylbenzamide is O=C(Nc1cccc2ccccc12)c1ccc(S)cc1.
What is the InChIKey of N-naphthalen-1-yl-4-sulfanylbenzamide?
The InChIKey is FIEWJVPMBWIVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-17(13-8-10-14(20)11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19).
What are the key properties of N-naphthalen-1-yl-4-sulfanylbenzamide?
N-naphthalen-1-yl-4-sulfanylbenzamide has a molecular weight of 279.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-sulfanylbenzamide is sourced from PubChem (CID 107019782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).