4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

C16H18F2N2OS2 — CID 18161921

IUPAC4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(SC(F)F)cc1)c1cccs1
InChIInChI=1S/C16H18F2N2OS2/c1-20(2)13(14-4-3-9-22-14)10-19-15(21)11-5-7-12(8-6-11)23-16(17)18/h3-9,13,16H,10H2,1-2H3,(H,19,21)
InChIKeyYUYGFNHOXFBJMN-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.10
Rot. Bonds7

About 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (PubChem CID 18161921) has the molecular formula C16H18F2N2OS2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
PubChem CID18161921
Molecular FormulaC16H18F2N2OS2
Molecular Weight356.46 g/mol
Exact Mass356.08
IUPAC Name4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(SC(F)F)cc1)c1cccs1
InChIInChI=1S/C16H18F2N2OS2/c1-20(2)13(14-4-3-9-22-14)10-19-15(21)11-5-7-12(8-6-11)23-16(17)18/h3-9,13,16H,10H2,1-2H3,(H,19,21)
InChIKeyYUYGFNHOXFBJMN-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55521571
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 51981001
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
CID 17467084
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
CID 78772713
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (CID 18161921) is 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is CN(C)C(CNC(=O)c1ccc(SC(F)F)cc1)c1cccs1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is YUYGFNHOXFBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS2/c1-20(2)13(14-4-3-9-22-14)10-19-15(21)11-5-7-12(8-6-11)23-16(17)18/h3-9,13,16H,10H2,1-2H3,(H,19,21).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 356.46 g/mol, XLogP of 4.10, 7 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-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 18161921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).