(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H23N3O4S — CID 129328384

IUPAC(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCO[C@@H](c4cncn4C)C3)ccc2O1
InChIInChI=1S/C18H23N3O4S/c1-12-7-13-8-15(3-4-17(13)25-12)26(22,23)20-14-5-6-24-18(9-14)16-10-19-11-21(16)2/h3-4,8,10-12,14,18,20H,5-7,9H2,1-2H3/t12-,14-,18-/m1/s1
InChIKeyBGIRHNDXSJYSBX-RVZJWNSFSA-N
MW377.47 g/mol
LogP1.94
Rot. Bonds4

About (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 129328384) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID129328384
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCO[C@@H](c4cncn4C)C3)ccc2O1
InChIInChI=1S/C18H23N3O4S/c1-12-7-13-8-15(3-4-17(13)25-12)26(22,23)20-14-5-6-24-18(9-14)16-10-19-11-21(16)2/h3-4,8,10-12,14,18,20H,5-7,9H2,1-2H3/t12-,14-,18-/m1/s1
InChIKeyBGIRHNDXSJYSBX-RVZJWNSFSA-N
XLogP1.94
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333164
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333162
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119967986
N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 75430990
2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 146149634
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128997737
(2R,4R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129340876
2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide
CID 128967939
2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
CID 129341065
3-ethyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129331407
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
2-chloro-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331112

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 129328384) is (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCO[C@@H](c4cncn4C)C3)ccc2O1.
What is the InChIKey of (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BGIRHNDXSJYSBX-RVZJWNSFSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-7-13-8-15(3-4-17(13)25-12)26(22,23)20-14-5-6-24-18(9-14)16-10-19-11-21(16)2/h3-4,8,10-12,14,18,20H,5-7,9H2,1-2H3/t12-,14-,18-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 129328384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).