4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C18H15F2NO4S2 — CID 9094982

IUPAC4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H15F2NO4S2/c19-18(20)27(23,24)16-7-5-13(6-8-16)17(22)21(11-14-3-1-9-25-14)12-15-4-2-10-26-15/h1-10,18H,11-12H2
InChIKeyBQXBGSPQFMKTFR-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.18
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 9094982) has the molecular formula C18H15F2NO4S2 and a molecular weight of 411.45 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID9094982
Molecular FormulaC18H15F2NO4S2
Molecular Weight411.45 g/mol
Exact Mass411.04
IUPAC Name4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H15F2NO4S2/c19-18(20)27(23,24)16-7-5-13(6-8-16)17(22)21(11-14-3-1-9-25-14)12-15-4-2-10-26-15/h1-10,18H,11-12H2
InChIKeyBQXBGSPQFMKTFR-UHFFFAOYSA-N
XLogP4.18
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 9094982) is 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is BQXBGSPQFMKTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO4S2/c19-18(20)27(23,24)16-7-5-13(6-8-16)17(22)21(11-14-3-1-9-25-14)12-15-4-2-10-26-15/h1-10,18H,11-12H2.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 411.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 9094982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).