2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide

C14H12BrClN2OS — CID 43304961

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
SMILESNc1cccc(Cl)c1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2OS/c15-9-4-6-10(7-5-9)18-13(19)8-20-14-11(16)2-1-3-12(14)17/h1-7H,8,17H2,(H,18,19)
InChIKeyKVJKIHSMCFAGOF-UHFFFAOYSA-N
MW371.69 g/mol
LogP4.42
Rot. Bonds4

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide (PubChem CID 43304961) has the molecular formula C14H12BrClN2OS and a molecular weight of 371.69 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
PubChem CID43304961
Molecular FormulaC14H12BrClN2OS
Molecular Weight371.69 g/mol
Exact Mass369.95
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
SMILESNc1cccc(Cl)c1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2OS/c15-9-4-6-10(7-5-9)18-13(19)8-20-14-11(16)2-1-3-12(14)17/h1-7H,8,17H2,(H,18,19)
InChIKeyKVJKIHSMCFAGOF-UHFFFAOYSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.69
LogP ≤ 54.42
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-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43304736
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43304649
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 112777647
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43304457
4-[[2-(2-amino-6-chlorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43304528
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide (CID 43304961) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide is Nc1cccc(Cl)c1SCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
The InChIKey is KVJKIHSMCFAGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2OS/c15-9-4-6-10(7-5-9)18-13(19)8-20-14-11(16)2-1-3-12(14)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide?
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide has a molecular weight of 371.69 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 43304961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).