N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide

C25H15F7N2O3S2 — CID 73353937

IUPACN-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(Cc1cnccc1-c1ccccc1F)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H15F7N2O3S2/c26-22-4-2-1-3-21(22)20-5-7-33-12-16(20)13-34(23(35)15-6-8-38-14-15)39(36,37)19-10-17(24(27,28)29)9-18(11-19)25(30,31)32/h1-12,14H,13H2
InChIKeyKYEYYPTUJSBZIP-UHFFFAOYSA-N
MW588.53 g/mol
LogP7.02
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide (PubChem CID 73353937) has the molecular formula C25H15F7N2O3S2 and a molecular weight of 588.53 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide
PubChem CID73353937
Molecular FormulaC25H15F7N2O3S2
Molecular Weight588.53 g/mol
Exact Mass588.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(Cc1cnccc1-c1ccccc1F)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H15F7N2O3S2/c26-22-4-2-1-3-21(22)20-5-7-33-12-16(20)13-34(23(35)15-6-8-38-14-15)39(36,37)19-10-17(24(27,28)29)9-18(11-19)25(30,31)32/h1-12,14H,13H2
InChIKeyKYEYYPTUJSBZIP-UHFFFAOYSA-N
XLogP7.02
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide (CID 73353937) is N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide is O=C(c1ccsc1)N(Cc1cnccc1-c1ccccc1F)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
The InChIKey is KYEYYPTUJSBZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F7N2O3S2/c26-22-4-2-1-3-21(22)20-5-7-33-12-16(20)13-34(23(35)15-6-8-38-14-15)39(36,37)19-10-17(24(27,28)29)9-18(11-19)25(30,31)32/h1-12,14H,13H2.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide has a molecular weight of 588.53 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 73353937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).