2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide

C14H11BrF2N2OS — CID 82838734

IUPAC2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C14H11BrF2N2OS/c15-9-6-8(18)4-5-12(9)21-7-13(20)19-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeySLYUYUUMDHAVCA-UHFFFAOYSA-N
MW373.22 g/mol
LogP4.04
Rot. Bonds4

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

2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide (PubChem CID 82838734) has the molecular formula C14H11BrF2N2OS and a molecular weight of 373.22 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
PubChem CID82838734
Molecular FormulaC14H11BrF2N2OS
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC Name2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C14H11BrF2N2OS/c15-9-6-8(18)4-5-12(9)21-7-13(20)19-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeySLYUYUUMDHAVCA-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 54.04
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-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 43305241
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43303659
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
2-(4-amino-2-bromophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 82838713
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 82838705
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 82840777
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide (CID 82838734) is 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2c(F)cccc2F)c(Br)c1.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The InChIKey is SLYUYUUMDHAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2OS/c15-9-6-8(18)4-5-12(9)21-7-13(20)19-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide has a molecular weight of 373.22 g/mol, XLogP of 4.04, 4 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)sulfanyl-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 82838734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).