2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

C18H19F2NO4S2 — CID 72717858

IUPAC2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H19F2NO4S2/c19-17(20)27(23,24)14-5-2-1-4-13(14)16(22)21-12-18(7-9-25-10-8-18)15-6-3-11-26-15/h1-6,11,17H,7-10,12H2,(H,21,22)
InChIKeyVNJPVFMZOWIBER-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.22
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (PubChem CID 72717858) has the molecular formula C18H19F2NO4S2 and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
PubChem CID72717858
Molecular FormulaC18H19F2NO4S2
Molecular Weight415.48 g/mol
Exact Mass415.07
IUPAC Name2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H19F2NO4S2/c19-17(20)27(23,24)14-5-2-1-4-13(14)16(22)21-12-18(7-9-25-10-8-18)15-6-3-11-26-15/h1-6,11,17H,7-10,12H2,(H,21,22)
InChIKeyVNJPVFMZOWIBER-UHFFFAOYSA-N
XLogP3.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfonyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]benzamide
CID 71806714
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944278
2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806744
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (CID 72717858) is 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is VNJPVFMZOWIBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4S2/c19-17(20)27(23,24)14-5-2-1-4-13(14)16(22)21-12-18(7-9-25-10-8-18)15-6-3-11-26-15/h1-6,11,17H,7-10,12H2,(H,21,22).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 415.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 72717858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).