4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide

C15H15NOS2 — CID 9403388

IUPAC4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C15H15NOS2/c1-18-13-8-6-11(7-9-13)15(17)16-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H,16,17)
InChIKeyXJCSITNKLFVYQK-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.38
Rot. Bonds4

About 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 9403388) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
PubChem CID9403388
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC Name4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C15H15NOS2/c1-18-13-8-6-11(7-9-13)15(17)16-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H,16,17)
InChIKeyXJCSITNKLFVYQK-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461
4-(1,3-dithiolan-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 8761867
N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9402797
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide (CID 9403388) is 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide is CSc1ccc(C(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is XJCSITNKLFVYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c1-18-13-8-6-11(7-9-13)15(17)16-12-4-3-5-14(10-12)19-2/h3-10H,1-2H3,(H,16,17).
What are the key properties of 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide?
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 289.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9403388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).