N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H18F2N4O2S — CID 107483200

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H18F2N4O2S/c1-8(2)17-7-14-15-11(17)20-6-10(19)16(3-4-18)5-9(12)13/h7-9,18H,3-6H2,1-2H3
InChIKeyMPAZOFSCPZFEGR-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.04
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 107483200) has the molecular formula C11H18F2N4O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID107483200
Molecular FormulaC11H18F2N4O2S
Molecular Weight308.35 g/mol
Exact Mass308.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H18F2N4O2S/c1-8(2)17-7-14-15-11(17)20-6-10(19)16(3-4-18)5-9(12)13/h7-9,18H,3-6H2,1-2H3
InChIKeyMPAZOFSCPZFEGR-UHFFFAOYSA-N
XLogP1.04
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 45792874
2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87018068
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726132
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726320
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769789
N-(3,3-difluoro-2-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 103770373
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915488
N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103915595
N-(2,2-difluoro-3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104857462
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857968
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483080
N-(2-methoxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352425

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 107483200) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MPAZOFSCPZFEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2S/c1-8(2)17-7-14-15-11(17)20-6-10(19)16(3-4-18)5-9(12)13/h7-9,18H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 107483200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).