2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide

C9H10BrN3O3S — CID 81185948

IUPAC2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H10BrN3O3S/c10-5-1-2-7(6(11)3-5)17(16)4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15)
InChIKeyODWAGGMUSIHQLB-UHFFFAOYSA-N
MW320.17 g/mol
LogP0.33
Rot. Bonds3

About 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide

2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide (PubChem CID 81185948) has the molecular formula C9H10BrN3O3S and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
PubChem CID81185948
Molecular FormulaC9H10BrN3O3S
Molecular Weight320.17 g/mol
Exact Mass318.96
IUPAC Name2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H10BrN3O3S/c10-5-1-2-7(6(11)3-5)17(16)4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15)
InChIKeyODWAGGMUSIHQLB-UHFFFAOYSA-N
XLogP0.33
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81184227
3-(2-amino-4-bromophenyl)sulfinylpropanamide
CID 81186076
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81184912
2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide
CID 81180380
2-(2-amino-5-bromophenyl)sulfinyl-N-butylacetamide
CID 81207148
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
2-(2-amino-4-chlorophenyl)sulfinylacetamide
CID 81176063
5-bromo-2-(3-methylsulfonylpropylsulfinyl)aniline
CID 81184724
5-bromo-2-hexylsulfinylaniline
CID 81185932

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide (CID 81185948) is 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide is NC(=O)NC(=O)CS(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide?
The InChIKey is ODWAGGMUSIHQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3S/c10-5-1-2-7(6(11)3-5)17(16)4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide?
2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide has a molecular weight of 320.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide is sourced from PubChem (CID 81185948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).