2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide

C12H15BrN2O2S — CID 82833615

IUPAC2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
SMILESNc1ccc(S(=O)CC(=O)NCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c13-10-5-9(14)3-4-11(10)18(17)7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16)
InChIKeyYAYGOZJGLMTSES-UHFFFAOYSA-N
MW331.24 g/mol
LogP1.67
Rot. Bonds5

About 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide

2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide (PubChem CID 82833615) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
PubChem CID82833615
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
SMILESNc1ccc(S(=O)CC(=O)NCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O2S/c13-10-5-9(14)3-4-11(10)18(17)7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16)
InChIKeyYAYGOZJGLMTSES-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81201983
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(4-amino-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026
2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide
CID 82833724
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
3-bromo-4-(cyclopropylmethylsulfinyl)aniline
CID 82840606
4-(4-amino-2-bromophenyl)sulfinyl-N-methylbutanamide
CID 82834836
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005
2-(4-amino-2-fluorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81192164

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide (CID 82833615) is 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide is Nc1ccc(S(=O)CC(=O)NCC2CC2)c(Br)c1.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
The InChIKey is YAYGOZJGLMTSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c13-10-5-9(14)3-4-11(10)18(17)7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide?
2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide has a molecular weight of 331.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 82833615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).