5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C21H16F3N3O4S2 — CID 10074495

IUPAC5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C21H16F3N3O4S2/c1-33(29,30)13-6-7-15-16(8-13)27(11-26-15)18-9-17(19(32-18)20(25)28)31-10-12-4-2-3-5-14(12)21(22,23)24/h2-9,11H,10H2,1H3,(H2,25,28)
InChIKeyPKLMXGCVMJKTHE-UHFFFAOYSA-N
MW495.50 g/mol
LogP4.19
Rot. Bonds6

About 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 10074495) has the molecular formula C21H16F3N3O4S2 and a molecular weight of 495.50 g/mol. Its IUPAC name is 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID10074495
Molecular FormulaC21H16F3N3O4S2
Molecular Weight495.50 g/mol
Exact Mass495.05
IUPAC Name5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C21H16F3N3O4S2/c1-33(29,30)13-6-7-15-16(8-13)27(11-26-15)18-9-17(19(32-18)20(25)28)31-10-12-4-2-3-5-14(12)21(22,23)24/h2-9,11H,10H2,1H3,(H2,25,28)
InChIKeyPKLMXGCVMJKTHE-UHFFFAOYSA-N
XLogP4.19
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 10074495) is 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is CS(=O)(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1.
What is the InChIKey of 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is PKLMXGCVMJKTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O4S2/c1-33(29,30)13-6-7-15-16(8-13)27(11-26-15)18-9-17(19(32-18)20(25)28)31-10-12-4-2-3-5-14(12)21(22,23)24/h2-9,11H,10H2,1H3,(H2,25,28).
What are the key properties of 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 495.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylsulfonylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 10074495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).