N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine

C16H25N3O4S — CID 42596474

IUPACN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)o2)n1CCOC
InChIInChI=1S/C16H25N3O4S/c1-5-24(20,21)16-17-10-14(19(16)8-9-22-4)11-18(3)12-15-7-6-13(2)23-15/h6-7,10H,5,8-9,11-12H2,1-4H3
InChIKeyKQOFCMXDNFQYOH-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.86
Rot. Bonds9

About N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine

N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 42596474) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID42596474
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)o2)n1CCOC
InChIInChI=1S/C16H25N3O4S/c1-5-24(20,21)16-17-10-14(19(16)8-9-22-4)11-18(3)12-15-7-6-13(2)23-15/h6-7,10H,5,8-9,11-12H2,1-4H3
InChIKeyKQOFCMXDNFQYOH-UHFFFAOYSA-N
XLogP1.86
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 42596474) is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine is CCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)o2)n1CCOC.
What is the InChIKey of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is KQOFCMXDNFQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-5-24(20,21)16-17-10-14(19(16)8-9-22-4)11-18(3)12-15-7-6-13(2)23-15/h6-7,10H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 355.46 g/mol, XLogP of 1.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 42596474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).