N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide

C13H13ClN2O2S — CID 107779905

IUPACN-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCc1occc1SCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H13ClN2O2S/c1-8-12(4-5-18-8)19-7-13(17)16-11-6-9(14)2-3-10(11)15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyZVVMILKRTRRNNX-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.55
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide

N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide (PubChem CID 107779905) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
PubChem CID107779905
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCc1occc1SCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H13ClN2O2S/c1-8-12(4-5-18-8)19-7-13(17)16-11-6-9(14)2-3-10(11)15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyZVVMILKRTRRNNX-UHFFFAOYSA-N
XLogP3.55
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107780020
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62408208
1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 107781186
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62002960
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide (CID 107779905) is N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide is Cc1occc1SCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The InChIKey is ZVVMILKRTRRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-12(4-5-18-8)19-7-13(17)16-11-6-9(14)2-3-10(11)15/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide has a molecular weight of 296.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide is sourced from PubChem (CID 107779905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).