2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H21N3O3S — CID 128966223

IUPAC2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NCC3CCc4nccn4C3)ccc2O1
InChIInChI=1S/C17H21N3O3S/c1-12-8-14-9-15(3-4-16(14)23-12)24(21,22)19-10-13-2-5-17-18-6-7-20(17)11-13/h3-4,6-7,9,12-13,19H,2,5,8,10-11H2,1H3
InChIKeyTVCRBEUMRFYRQI-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 128966223) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID128966223
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NCC3CCc4nccn4C3)ccc2O1
InChIInChI=1S/C17H21N3O3S/c1-12-8-14-9-15(3-4-16(14)23-12)24(21,22)19-10-13-2-5-17-18-6-7-20(17)11-13/h3-4,6-7,9,12-13,19H,2,5,8,10-11H2,1H3
InChIKeyTVCRBEUMRFYRQI-UHFFFAOYSA-N
XLogP1.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129342004
7-chloro-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128995589
(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129327879
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 128995583
4-chloro-3-cyano-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
CID 129338183
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129340913
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
CID 128995590
5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide
CID 128965320
2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119973166
N-(2-amino-2-cyclopropylethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120582443
N-methyl-1-[1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 119977775
(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
CID 129472884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 128966223) is 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1Cc2cc(S(=O)(=O)NCC3CCc4nccn4C3)ccc2O1.
What is the InChIKey of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is TVCRBEUMRFYRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-8-14-9-15(3-4-16(14)23-12)24(21,22)19-10-13-2-5-17-18-6-7-20(17)11-13/h3-4,6-7,9,12-13,19H,2,5,8,10-11H2,1H3.
What are the key properties of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 128966223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).