2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide

C16H15F4NOS2 — CID 134106708

IUPAC2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)(CSc1c(F)c(F)cc(F)c1F)C(=O)NCc1cccs1
InChIInChI=1S/C16H15F4NOS2/c1-16(2,15(22)21-7-9-4-3-5-23-9)8-24-14-12(19)10(17)6-11(18)13(14)20/h3-6H,7-8H2,1-2H3,(H,21,22)
InChIKeyRCWLIPLORBXHAK-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.74
Rot. Bonds6

About 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide

2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 134106708) has the molecular formula C16H15F4NOS2 and a molecular weight of 377.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID134106708
Molecular FormulaC16H15F4NOS2
Molecular Weight377.43 g/mol
Exact Mass377.05
IUPAC Name2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)(CSc1c(F)c(F)cc(F)c1F)C(=O)NCc1cccs1
InChIInChI=1S/C16H15F4NOS2/c1-16(2,15(22)21-7-9-4-3-5-23-9)8-24-14-12(19)10(17)6-11(18)13(14)20/h3-6H,7-8H2,1-2H3,(H,21,22)
InChIKeyRCWLIPLORBXHAK-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpropanamide
CID 134092373
3-amino-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119679292
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 63187631
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
3-(2,5-difluorophenyl)sulfanyl-2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]propanamide
CID 134106707
tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
CID 107241001
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide (CID 134106708) is 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide is CC(C)(CSc1c(F)c(F)cc(F)c1F)C(=O)NCc1cccs1.
What is the InChIKey of 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is RCWLIPLORBXHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NOS2/c1-16(2,15(22)21-7-9-4-3-5-23-9)8-24-14-12(19)10(17)6-11(18)13(14)20/h3-6H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 377.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 134106708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).