4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

C19H22F2N2O2S — CID 55521571

IUPAC4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(SC(F)F)cc1)N(C)C
InChIInChI=1S/C19H22F2N2O2S/c1-23(2)16(15-6-4-5-7-17(15)25-3)12-22-18(24)13-8-10-14(11-9-13)26-19(20)21/h4-11,16,19H,12H2,1-3H3,(H,22,24)
InChIKeyZBZRKGNNROJLIR-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.04
Rot. Bonds8

About 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 55521571) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID55521571
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC Name4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(SC(F)F)cc1)N(C)C
InChIInChI=1S/C19H22F2N2O2S/c1-23(2)16(15-6-4-5-7-17(15)25-3)12-22-18(24)13-8-10-14(11-9-13)26-19(20)21/h4-11,16,19H,12H2,1-3H3,(H,22,24)
InChIKeyZBZRKGNNROJLIR-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
CID 18269959
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87002114
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (CID 55521571) is 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1C(CNC(=O)c1ccc(SC(F)F)cc1)N(C)C.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZBZRKGNNROJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c1-23(2)16(15-6-4-5-7-17(15)25-3)12-22-18(24)13-8-10-14(11-9-13)26-19(20)21/h4-11,16,19H,12H2,1-3H3,(H,22,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 380.46 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55521571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).