N-(3,5-dimethylphenyl)-3-sulfanylbenzamide

C15H15NOS — CID 107021223

IUPACN-(3,5-dimethylphenyl)-3-sulfanylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(S)c2)c1
InChIInChI=1S/C15H15NOS/c1-10-6-11(2)8-13(7-10)16-15(17)12-4-3-5-14(18)9-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeySVSQOMZAPJQYPJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.84
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3-sulfanylbenzamide

N-(3,5-dimethylphenyl)-3-sulfanylbenzamide (PubChem CID 107021223) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-sulfanylbenzamide
PubChem CID107021223
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(3,5-dimethylphenyl)-3-sulfanylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(S)c2)c1
InChIInChI=1S/C15H15NOS/c1-10-6-11(2)8-13(7-10)16-15(17)12-4-3-5-14(18)9-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeySVSQOMZAPJQYPJ-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.84
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

N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide
CID 114222934
N-(3,5-dimethylphenyl)-3-propan-2-ylsulfanylbenzamide
CID 8701079
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
CID 82179559
N-(3-bromo-5-methylphenyl)-3-iodobenzamide
CID 107583753
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-sulfanylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-sulfanylbenzamide (CID 107021223) is N-(3,5-dimethylphenyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-sulfanylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-sulfanylbenzamide is Cc1cc(C)cc(NC(=O)c2cccc(S)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-sulfanylbenzamide?
The InChIKey is SVSQOMZAPJQYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-6-11(2)8-13(7-10)16-15(17)12-4-3-5-14(18)9-12/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-3-sulfanylbenzamide?
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide has a molecular weight of 257.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107021223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).