2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide

C15H21F2N3O2S — CID 18083018

IUPAC2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H21F2N3O2S/c1-3-8-18-13(21)9-20(2)10-14(22)19-11-4-6-12(7-5-11)23-15(16)17/h4-7,15H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZDYDQYNNNZZHRR-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.40
Rot. Bonds9

About 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 18083018) has the molecular formula C15H21F2N3O2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID18083018
Molecular FormulaC15H21F2N3O2S
Molecular Weight345.42 g/mol
Exact Mass345.13
IUPAC Name2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H21F2N3O2S/c1-3-8-18-13(21)9-20(2)10-14(22)19-11-4-6-12(7-5-11)23-15(16)17/h4-7,15H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZDYDQYNNNZZHRR-UHFFFAOYSA-N
XLogP2.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433671
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18094879
2-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 8560795
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111334131

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide (CID 18083018) is 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is ZDYDQYNNNZZHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2S/c1-3-8-18-13(21)9-20(2)10-14(22)19-11-4-6-12(7-5-11)23-15(16)17/h4-7,15H,3,8-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 345.42 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 18083018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).