N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide

C10H12BrNOS — CID 81289356

IUPACN-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
SMILESCCc1cc(Br)ccc1NC(=O)CS
InChIInChI=1S/C10H12BrNOS/c1-2-7-5-8(11)3-4-9(7)12-10(13)6-14/h3-5,14H,2,6H2,1H3,(H,12,13)
InChIKeyMVRAZAMPWHKCCK-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.88
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide

N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide (PubChem CID 81289356) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
PubChem CID81289356
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
SMILESCCc1cc(Br)ccc1NC(=O)CS
InChIInChI=1S/C10H12BrNOS/c1-2-7-5-8(11)3-4-9(7)12-10(13)6-14/h3-5,14H,2,6H2,1H3,(H,12,13)
InChIKeyMVRAZAMPWHKCCK-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.88
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

2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
2-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570178
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide
CID 81003703

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide (CID 81289356) is N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide is CCc1cc(Br)ccc1NC(=O)CS.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide?
The InChIKey is MVRAZAMPWHKCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-2-7-5-8(11)3-4-9(7)12-10(13)6-14/h3-5,14H,2,6H2,1H3,(H,12,13).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide?
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide has a molecular weight of 274.18 g/mol, XLogP of 2.88, 3 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-sulfanylacetamide is sourced from PubChem (CID 81289356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).