N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C18H14F3NO3S3 — CID 72717612

IUPACN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=C(c1ccsc1)c1ccc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H14F3NO3S3/c19-18(20,21)14-3-1-12(2-4-14)11-28(24,25)22-9-15-5-6-16(27-15)17(23)13-7-8-26-10-13/h1-8,10,22H,9,11H2
InChIKeyZSNQIHARIWUEPC-UHFFFAOYSA-N
MW445.51 g/mol
LogP4.68
Rot. Bonds7

About N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 72717612) has the molecular formula C18H14F3NO3S3 and a molecular weight of 445.51 g/mol. Its IUPAC name is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID72717612
Molecular FormulaC18H14F3NO3S3
Molecular Weight445.51 g/mol
Exact Mass445.01
IUPAC NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=C(c1ccsc1)c1ccc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H14F3NO3S3/c19-18(20,21)14-3-1-12(2-4-14)11-28(24,25)22-9-15-5-6-16(27-15)17(23)13-7-8-26-10-13/h1-8,10,22H,9,11H2
InChIKeyZSNQIHARIWUEPC-UHFFFAOYSA-N
XLogP4.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 72717612) is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=C(c1ccsc1)c1ccc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is ZSNQIHARIWUEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S3/c19-18(20,21)14-3-1-12(2-4-14)11-28(24,25)22-9-15-5-6-16(27-15)17(23)13-7-8-26-10-13/h1-8,10,22H,9,11H2.
What are the key properties of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 445.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 72717612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).