2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C14H17ClN4OS — CID 43304457

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CSc1c(N)cccc1Cl
InChIInChI=1S/C14H17ClN4OS/c1-9(2)19-12(6-7-17-19)18-13(20)8-21-14-10(15)4-3-5-11(14)16/h3-7,9H,8,16H2,1-2H3,(H,18,20)
InChIKeyDAIGGOVTPZRHNM-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.43
Rot. Bonds5

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 43304457) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID43304457
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CSc1c(N)cccc1Cl
InChIInChI=1S/C14H17ClN4OS/c1-9(2)19-12(6-7-17-19)18-13(20)8-21-14-10(15)4-3-5-11(14)16/h3-7,9H,8,16H2,1-2H3,(H,18,20)
InChIKeyDAIGGOVTPZRHNM-UHFFFAOYSA-N
XLogP3.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 79129205
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43302810
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39067806
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43304649
2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16532822
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid
CID 63943347
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 43304457) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CSc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is DAIGGOVTPZRHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9(2)19-12(6-7-17-19)18-13(20)8-21-14-10(15)4-3-5-11(14)16/h3-7,9H,8,16H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 324.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 43304457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).