2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C11H11ClN4O2S — CID 43305123

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2ccc(N)cc2Cl)o1
InChIInChI=1S/C11H11ClN4O2S/c1-6-15-16-11(18-6)14-10(17)5-19-9-3-2-7(13)4-8(9)12/h2-4H,5,13H2,1H3,(H,14,16,17)
InChIKeyZHNBKTCWQCFXAW-UHFFFAOYSA-N
MW298.76 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 43305123) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID43305123
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2ccc(N)cc2Cl)o1
InChIInChI=1S/C11H11ClN4O2S/c1-6-15-16-11(18-6)14-10(17)5-19-9-3-2-7(13)4-8(9)12/h2-4H,5,13H2,1H3,(H,14,16,17)
InChIKeyZHNBKTCWQCFXAW-UHFFFAOYSA-N
XLogP2.34
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 52.34
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

2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79126696
N-(4-amino-2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62254699
N'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 43305241
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 39063542
2-(5-amino-2-pyridinyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 107339714
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275
N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255780
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 43305347
2-[4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetic acid
CID 64928750

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 43305123) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2ccc(N)cc2Cl)o1.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ZHNBKTCWQCFXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-6-15-16-11(18-6)14-10(17)5-19-9-3-2-7(13)4-8(9)12/h2-4H,5,13H2,1H3,(H,14,16,17).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 298.76 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 43305123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).