N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide

C14H13NOS2 — CID 113220462

IUPACN-(4-methylsulfanylphenyl)-2-sulfanylbenzamide
SMILESCSc1ccc(NC(=O)c2ccccc2S)cc1
InChIInChI=1S/C14H13NOS2/c1-18-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)17/h2-9,17H,1H3,(H,15,16)
InChIKeyBYUMCLNVMPBWKY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.95
Rot. Bonds3

About N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide

N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide (PubChem CID 113220462) has the molecular formula C14H13NOS2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-sulfanylbenzamide
PubChem CID113220462
Molecular FormulaC14H13NOS2
Molecular Weight275.40 g/mol
Exact Mass275.04
IUPAC NameN-(4-methylsulfanylphenyl)-2-sulfanylbenzamide
SMILESCSc1ccc(NC(=O)c2ccccc2S)cc1
InChIInChI=1S/C14H13NOS2/c1-18-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)17/h2-9,17H,1H3,(H,15,16)
InChIKeyBYUMCLNVMPBWKY-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 42371486
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
2-amino-3-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 115539964
N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide
CID 101414769
N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide
CID 107036539
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
2-methyl-N-(4-methylsulfanylphenyl)-3-nitrobenzamide
CID 42369775
S-methyl 2-sulfanylbenzenecarbothioate
CID 87476324
2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 9153625
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide (CID 113220462) is N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide is CSc1ccc(NC(=O)c2ccccc2S)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide?
The InChIKey is BYUMCLNVMPBWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS2/c1-18-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)17/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide?
N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 113220462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).