2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C15H20F2N2O2S2 — CID 112759116

IUPAC2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2S2/c1-3-19(4-2)14(21)10-22-9-13(20)18-11-5-7-12(8-6-11)23-15(16)17/h5-8,15H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyTZMQHPVXYZGMAL-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.54
Rot. Bonds9

About 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 112759116) has the molecular formula C15H20F2N2O2S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID112759116
Molecular FormulaC15H20F2N2O2S2
Molecular Weight362.47 g/mol
Exact Mass362.09
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2S2/c1-3-19(4-2)14(21)10-22-9-13(20)18-11-5-7-12(8-6-11)23-15(16)17/h5-8,15H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyTZMQHPVXYZGMAL-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]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

3-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890261
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 39076015
[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 29243511
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111334131
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858692
3-[4-(difluoromethylsulfanyl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010057

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 112759116) is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is CCN(CC)C(=O)CSCC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is TZMQHPVXYZGMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2S2/c1-3-19(4-2)14(21)10-22-9-13(20)18-11-5-7-12(8-6-11)23-15(16)17/h5-8,15H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 112759116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).