2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide

C18H19F2NO3S2 — CID 71806714

IUPAC2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCCC1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H19F2NO3S2/c19-17(20)26(23,24)14-7-2-1-6-13(14)16(22)21-12-18(9-3-4-10-18)15-8-5-11-25-15/h1-2,5-8,11,17H,3-4,9-10,12H2,(H,21,22)
InChIKeyKJTXVMPUWIFHIQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP3.99
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide

2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide (PubChem CID 71806714) has the molecular formula C18H19F2NO3S2 and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide
PubChem CID71806714
Molecular FormulaC18H19F2NO3S2
Molecular Weight399.48 g/mol
Exact Mass399.08
IUPAC Name2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCCC1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H19F2NO3S2/c19-17(20)26(23,24)14-7-2-1-6-13(14)16(22)21-12-18(9-3-4-10-18)15-8-5-11-25-15/h1-2,5-8,11,17H,3-4,9-10,12H2,(H,21,22)
InChIKeyKJTXVMPUWIFHIQ-UHFFFAOYSA-N
XLogP3.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide (CID 71806714) is 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide is O=C(NCC1(c2cccs2)CCCC1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide?
The InChIKey is KJTXVMPUWIFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S2/c19-17(20)26(23,24)14-7-2-1-6-13(14)16(22)21-12-18(9-3-4-10-18)15-8-5-11-25-15/h1-2,5-8,11,17H,3-4,9-10,12H2,(H,21,22).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide?
2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 71806714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).