N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide

C16H16BrNOS — CID 107033074

IUPACN-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C16H16BrNOS/c1-2-12-10-13(17)5-8-15(12)18-16(19)9-11-3-6-14(20)7-4-11/h3-8,10,20H,2,9H2,1H3,(H,18,19)
InChIKeyTZXCZSFYEYOYRI-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.48
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide

N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107033074) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107033074
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C16H16BrNOS/c1-2-12-10-13(17)5-8-15(12)18-16(19)9-11-3-6-14(20)7-4-11/h3-8,10,20H,2,9H2,1H3,(H,18,19)
InChIKeyTZXCZSFYEYOYRI-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.48
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-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
2-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570178
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107638371
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide (CID 107033074) is N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide is CCc1cc(Br)ccc1NC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is TZXCZSFYEYOYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-2-12-10-13(17)5-8-15(12)18-16(19)9-11-3-6-14(20)7-4-11/h3-8,10,20H,2,9H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide?
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 350.28 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107033074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).