6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide

C18H15F3N4O3S3 — CID 146561188

IUPAC6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(C(=O)NC)csc12
InChIInChI=1S/C18H15F3N4O3S3/c1-4-31(27,28)15-13-12(8(7-29-13)17(26)22-2)30-14(15)16-24-9-5-11(18(19,20)21)23-6-10(9)25(16)3/h5-7H,4H2,1-3H3,(H,22,26)
InChIKeyBXSSXHGGANDVAA-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.08
Rot. Bonds4

About 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide

6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide (PubChem CID 146561188) has the molecular formula C18H15F3N4O3S3 and a molecular weight of 488.54 g/mol. Its IUPAC name is 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide.

Molecular Properties

Compound Name6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide
PubChem CID146561188
Molecular FormulaC18H15F3N4O3S3
Molecular Weight488.54 g/mol
Exact Mass488.03
IUPAC Name6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(C(=O)NC)csc12
InChIInChI=1S/C18H15F3N4O3S3/c1-4-31(27,28)15-13-12(8(7-29-13)17(26)22-2)30-14(15)16-24-9-5-11(18(19,20)21)23-6-10(9)25(16)3/h5-7H,4H2,1-3H3,(H,22,26)
InChIKeyBXSSXHGGANDVAA-UHFFFAOYSA-N
XLogP4.08
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide?
The IUPAC name of 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide (CID 146561188) is 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide.
What is the SMILES notation for 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide?
The canonical SMILES for 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(C(=O)NC)csc12.
What is the InChIKey of 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide?
The InChIKey is BXSSXHGGANDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S3/c1-4-31(27,28)15-13-12(8(7-29-13)17(26)22-2)30-14(15)16-24-9-5-11(18(19,20)21)23-6-10(9)25(16)3/h5-7H,4H2,1-3H3,(H,22,26).
What are the key properties of 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide?
6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-N-methyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophene-3-carboxamide is sourced from PubChem (CID 146561188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).