2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide

C15H15BrN2O2S — CID 81191944

IUPAC2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
SMILESCc1c(N)cccc1S(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-13(17)3-2-4-14(10)21(20)9-15(19)18-12-7-5-11(16)6-8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeySSHYRYPHEUPZCW-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.09
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide

2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide (PubChem CID 81191944) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
PubChem CID81191944
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
SMILESCc1c(N)cccc1S(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-13(17)3-2-4-14(10)21(20)9-15(19)18-12-7-5-11(16)6-8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeySSHYRYPHEUPZCW-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.09
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-(3-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81190716
2-(4-bromoanilino)-2-oxoethanesulfinic acid
CID 175057456
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
CID 81191221
N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
CID 81328118
N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide
CID 62805167
2-(3-amino-2-methylphenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81190292
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
3-ethylsulfinyl-2-methylaniline
CID 81191050
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide (CID 81191944) is 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide is Cc1c(N)cccc1S(=O)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide?
The InChIKey is SSHYRYPHEUPZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-13(17)3-2-4-14(10)21(20)9-15(19)18-12-7-5-11(16)6-8-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide?
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide has a molecular weight of 367.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 81191944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).