N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C12H12Cl2N4O2S — CID 62255780

IUPACN-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2c(Cl)cc(N)cc2Cl)o1
InChIInChI=1S/C12H12Cl2N4O2S/c1-6-17-18-12(20-6)21-3-2-10(19)16-11-8(13)4-7(15)5-9(11)14/h4-5H,2-3,15H2,1H3,(H,16,19)
InChIKeyJTPPALFFLKNZFG-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.39
Rot. Bonds5

About N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 62255780) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID62255780
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2c(Cl)cc(N)cc2Cl)o1
InChIInChI=1S/C12H12Cl2N4O2S/c1-6-17-18-12(20-6)21-3-2-10(19)16-11-8(13)4-7(15)5-9(11)14/h4-5H,2-3,15H2,1H3,(H,16,19)
InChIKeyJTPPALFFLKNZFG-UHFFFAOYSA-N
XLogP3.39
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62254699
N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255596
N-(5-amino-2-fluorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255600
N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
CID 106921925
N-(4-amino-2,6-dichlorophenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384728
3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 55483019
N-(4-amino-2-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922198
2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 43305123
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
methyl 2-[4-(4-amino-2,6-dichloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618026
N-(2-chloro-4,6-dimethylphenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562608

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 62255780) is N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SCCC(=O)Nc2c(Cl)cc(N)cc2Cl)o1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is JTPPALFFLKNZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c1-6-17-18-12(20-6)21-3-2-10(19)16-11-8(13)4-7(15)5-9(11)14/h4-5H,2-3,15H2,1H3,(H,16,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 347.23 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 62255780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).