2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide

C12H15BrN2O3S — CID 7995383

IUPAC2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3S/c1-18-7-6-14-12(17)15-11(16)8-19-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H2,14,15,16,17)
InChIKeyFOMACFMESIAHDQ-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.01
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 7995383) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID7995383
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3S/c1-18-7-6-14-12(17)15-11(16)8-19-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H2,14,15,16,17)
InChIKeyFOMACFMESIAHDQ-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 79149469
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
2-(4-bromophenyl)sulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712702
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176
ethane;methyl 2-(4-bromophenyl)sulfanylacetate
CID 143770591
2-(4-bromophenyl)sulfanyl-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8707507
2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 43392468
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide (CID 7995383) is 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is FOMACFMESIAHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-18-7-6-14-12(17)15-11(16)8-19-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 347.23 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 7995383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).