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

C10H11BrN2O2S — CID 2664606

IUPAC2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2S/c1-12-10(15)13-9(14)6-16-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyUKRLMYLIMYRFOL-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.00
Rot. Bonds3

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

2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 2664606) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID2664606
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2S/c1-12-10(15)13-9(14)6-16-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyUKRLMYLIMYRFOL-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 2664606) is 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is UKRLMYLIMYRFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-12-10(15)13-9(14)6-16-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 303.18 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 2664606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).