2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide

C13H18N4O3S — CID 125435513

IUPAC2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@@H](COC)c2ccccn2)[nH]1
InChIInChI=1S/C13H18N4O3S/c1-3-12-15-8-13(16-12)21(18,19)17-11(9-20-2)10-6-4-5-7-14-10/h4-8,11,17H,3,9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyXDZJBHNARHSDRZ-NSHDSACASA-N
MW310.38 g/mol
LogP1.03
Rot. Bonds7

About 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide (PubChem CID 125435513) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide
PubChem CID125435513
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@@H](COC)c2ccccn2)[nH]1
InChIInChI=1S/C13H18N4O3S/c1-3-12-15-8-13(16-12)21(18,19)17-11(9-20-2)10-6-4-5-7-14-10/h4-8,11,17H,3,9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyXDZJBHNARHSDRZ-NSHDSACASA-N
XLogP1.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide (CID 125435513) is 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N[C@@H](COC)c2ccccn2)[nH]1.
What is the InChIKey of 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is XDZJBHNARHSDRZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-3-12-15-8-13(16-12)21(18,19)17-11(9-20-2)10-6-4-5-7-14-10/h4-8,11,17H,3,9H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 125435513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).