tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate

C20H20F3N3O4S — CID 67953948

IUPACtert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate
SMILESCc1c(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C20H20F3N3O4S/c1-13-17(24-16-11-10-14(12-25(13)16)20(21,22)23)26(18(27)30-19(2,3)4)31(28,29)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyROZZEIZNQSQVGB-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.79
Rot. Bonds3

About tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate

tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate (PubChem CID 67953948) has the molecular formula C20H20F3N3O4S and a molecular weight of 455.46 g/mol. Its IUPAC name is tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate
PubChem CID67953948
Molecular FormulaC20H20F3N3O4S
Molecular Weight455.46 g/mol
Exact Mass455.11
IUPAC Nametert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate
SMILESCc1c(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C20H20F3N3O4S/c1-13-17(24-16-11-10-14(12-25(13)16)20(21,22)23)26(18(27)30-19(2,3)4)31(28,29)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyROZZEIZNQSQVGB-UHFFFAOYSA-N
XLogP4.79
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate?
The IUPAC name of tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate (CID 67953948) is tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate is Cc1c(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate?
The InChIKey is ROZZEIZNQSQVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4S/c1-13-17(24-16-11-10-14(12-25(13)16)20(21,22)23)26(18(27)30-19(2,3)4)31(28,29)15-8-6-5-7-9-15/h5-12H,1-4H3.
What are the key properties of tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate?
tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate has a molecular weight of 455.46 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(benzenesulfonyl)-N-[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 67953948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).