2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide

C13H20F2N4O3S — CID 167967990

IUPAC2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide
SMILESCn1ccc(CS(=O)(=O)NC(=O)C(N)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H20F2N4O3S/c1-19-7-4-10(17-19)8-23(21,22)18-12(20)11(16)9-2-5-13(14,15)6-3-9/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,18,20)
InChIKeyKMNYEEFSFMQGGH-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide

2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide (PubChem CID 167967990) has the molecular formula C13H20F2N4O3S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide
PubChem CID167967990
Molecular FormulaC13H20F2N4O3S
Molecular Weight350.39 g/mol
Exact Mass350.12
IUPAC Name2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide
SMILESCn1ccc(CS(=O)(=O)NC(=O)C(N)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H20F2N4O3S/c1-19-7-4-10(17-19)8-23(21,22)18-12(20)11(16)9-2-5-13(14,15)6-3-9/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,18,20)
InChIKeyKMNYEEFSFMQGGH-UHFFFAOYSA-N
XLogP0.52
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide?
The IUPAC name of 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide (CID 167967990) is 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide?
The canonical SMILES for 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide is Cn1ccc(CS(=O)(=O)NC(=O)C(N)C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide?
The InChIKey is KMNYEEFSFMQGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O3S/c1-19-7-4-10(17-19)8-23(21,22)18-12(20)11(16)9-2-5-13(14,15)6-3-9/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide?
2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide has a molecular weight of 350.39 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,4-difluorocyclohexyl)-N-[(1-methylpyrazol-3-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 167967990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).