N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide

C15H14BrNOS — CID 107638371

IUPACN-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCc1c(Br)cccc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H14BrNOS/c1-10-13(16)3-2-4-14(10)17-15(18)9-11-5-7-12(19)8-6-11/h2-8,19H,9H2,1H3,(H,17,18)
InChIKeyPANUZCAHCGELJN-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.23
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide

N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107638371) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107638371
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCc1c(Br)cccc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H14BrNOS/c1-10-13(16)3-2-4-14(10)17-15(18)9-11-5-7-12(19)8-6-11/h2-8,19H,9H2,1H3,(H,17,18)
InChIKeyPANUZCAHCGELJN-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.23
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-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107037069
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 891449
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide (CID 107638371) is N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide is Cc1c(Br)cccc1NC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is PANUZCAHCGELJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-10-13(16)3-2-4-14(10)17-15(18)9-11-5-7-12(19)8-6-11/h2-8,19H,9H2,1H3,(H,17,18).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 336.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107638371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).