N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide

C19H23N3O4S — CID 166623939

IUPACN,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
SMILESCc1c(-c2nccn2[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)oc2ccccc12
InChIInChI=1S/C19H23N3O4S/c1-13-15-6-4-5-7-17(15)26-18(13)19-20-8-9-22(19)16-11-25-10-14(16)12-27(23,24)21(2)3/h4-9,14,16H,10-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyZFQZJQTYFVKLAD-GOEBONIOSA-N
MW389.48 g/mol
LogP2.68
Rot. Bonds5

About N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide (PubChem CID 166623939) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
PubChem CID166623939
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
SMILESCc1c(-c2nccn2[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)oc2ccccc12
InChIInChI=1S/C19H23N3O4S/c1-13-15-6-4-5-7-17(15)26-18(13)19-20-8-9-22(19)16-11-25-10-14(16)12-27(23,24)21(2)3/h4-9,14,16H,10-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyZFQZJQTYFVKLAD-GOEBONIOSA-N
XLogP2.68
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[(3R,4S)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166619691
N,N-dimethyl-1-[(3S,4S)-4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166622316
N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166622045
N,N-dimethyl-1-[(3S,4S)-4-(2-quinolin-2-ylimidazol-1-yl)oxolan-3-yl]methanesulfonamide;formic acid
CID 166598033
1-[(3S,4S)-4-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 166599392
1-[(3S,4S)-4-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 165419444
1-[(3R,4S)-4-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 171325024
1-[(3S,4S)-4-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 165425656
N,N-dimethyl-1-[(3S,4S)-4-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide;formic acid
CID 166599041
acetic acid;N,N-dimethyl-1-[(3S,4S)-4-[2-(1,2-thiazol-4-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 171712833
N,N-dimethyl-1-[(3R,4S)-4-[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]oxolan-3-yl]methanesulfonamide;formic acid
CID 171707684
1-[(3S,4S)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 166598476

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide (CID 166623939) is N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide is Cc1c(-c2nccn2[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)oc2ccccc12.
What is the InChIKey of N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The InChIKey is ZFQZJQTYFVKLAD-GOEBONIOSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-15-6-4-5-7-17(15)26-18(13)19-20-8-9-22(19)16-11-25-10-14(16)12-27(23,24)21(2)3/h4-9,14,16H,10-12H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 166623939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).