4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

C24H29N3O4S — CID 42819785

IUPAC4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2C)CC2CCCO2)cc1
InChIInChI=1S/C24H29N3O4S/c1-19-6-3-4-7-20(19)16-26-14-13-25-24(26)18-27(17-22-8-5-15-31-22)32(28,29)23-11-9-21(30-2)10-12-23/h3-4,6-7,9-14,22H,5,8,15-18H2,1-2H3
InChIKeyVMXATWGZZNSKNS-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.62
Rot. Bonds9

About 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 42819785) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID42819785
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2C)CC2CCCO2)cc1
InChIInChI=1S/C24H29N3O4S/c1-19-6-3-4-7-20(19)16-26-14-13-25-24(26)18-27(17-22-8-5-15-31-22)32(28,29)23-11-9-21(30-2)10-12-23/h3-4,6-7,9-14,22H,5,8,15-18H2,1-2H3
InChIKeyVMXATWGZZNSKNS-UHFFFAOYSA-N
XLogP3.62
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 42818630
N-[(2-methoxyphenyl)methyl]-3,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51725760
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 25286863
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3185987
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3183997
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 42819326
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
CID 24712506
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189852
N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 93135737
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4184093

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 42819785) is 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2C)CC2CCCO2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is VMXATWGZZNSKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-19-6-3-4-7-20(19)16-26-14-13-25-24(26)18-27(17-22-8-5-15-31-22)32(28,29)23-11-9-21(30-2)10-12-23/h3-4,6-7,9-14,22H,5,8,15-18H2,1-2H3.
What are the key properties of 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 42819785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).