2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H17ClN4OS — CID 43304649

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1c(N)cccc1Cl
InChIInChI=1S/C14H17ClN4OS/c1-8-13(9(2)19(3)18-8)17-12(20)7-21-14-10(15)5-4-6-11(14)16/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyMBRJMGLHDOOPCG-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 43304649) 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-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID43304649
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1c(N)cccc1Cl
InChIInChI=1S/C14H17ClN4OS/c1-8-13(9(2)19(3)18-8)17-12(20)7-21-14-10(15)5-4-6-11(14)16/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyMBRJMGLHDOOPCG-UHFFFAOYSA-N
XLogP3.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.00
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-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79128373
2-(4-amino-3-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79129071
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
2-[2-(2-chlorophenoxy)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911711
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43304457
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60505510
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 43377074
2-(2-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 43304649) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CSc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MBRJMGLHDOOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-8-13(9(2)19(3)18-8)17-12(20)7-21-14-10(15)5-4-6-11(14)16/h4-6H,7,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 324.84 g/mol, XLogP of 3.00, 4 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-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43304649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).