2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide

C14H11ClF2N2OS — CID 79128069

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
SMILESNc1ccc(Cl)c(SCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H11ClF2N2OS/c15-10-3-1-8(18)5-13(10)21-7-14(20)19-9-2-4-11(16)12(17)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeySVUXXYQFTVAVIE-UHFFFAOYSA-N
MW328.77 g/mol
LogP3.93
Rot. Bonds4

About 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide

2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide (PubChem CID 79128069) has the molecular formula C14H11ClF2N2OS and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
PubChem CID79128069
Molecular FormulaC14H11ClF2N2OS
Molecular Weight328.77 g/mol
Exact Mass328.02
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
SMILESNc1ccc(Cl)c(SCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H11ClF2N2OS/c15-10-3-1-8(18)5-13(10)21-7-14(20)19-9-2-4-11(16)12(17)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeySVUXXYQFTVAVIE-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 53.93
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-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 43303534
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 82838705
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
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-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79130934
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43301917

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide (CID 79128069) is 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide is Nc1ccc(Cl)c(SCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The InChIKey is SVUXXYQFTVAVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2OS/c15-10-3-1-8(18)5-13(10)21-7-14(20)19-9-2-4-11(16)12(17)6-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide has a molecular weight of 328.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 79128069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).