1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide

C28H38N6O6S2 — CID 160613423

IUPAC1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1C.CCn1cc(S(N)(=O)=O)nc1C
InChIInChI=1S/C22H27N3O4S.C6H11N3O2S/c1-5-24-16-22(23-17(24)2)30(26,27)25(14-18-6-10-20(28-3)11-7-18)15-19-8-12-21(29-4)13-9-19;1-3-9-4-6(8-5(9)2)12(7,10)11/h6-13,16H,5,14-15H2,1-4H3;4H,3H2,1-2H3,(H2,7,10,11)
InChIKeyRFTRVBAYRLSJNQ-UHFFFAOYSA-N
MW618.78 g/mol
LogP3.48
Rot. Bonds11

About 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide

1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 160613423) has the molecular formula C28H38N6O6S2 and a molecular weight of 618.78 g/mol. Its IUPAC name is 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID160613423
Molecular FormulaC28H38N6O6S2
Molecular Weight618.78 g/mol
Exact Mass618.23
IUPAC Name1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1C.CCn1cc(S(N)(=O)=O)nc1C
InChIInChI=1S/C22H27N3O4S.C6H11N3O2S/c1-5-24-16-22(23-17(24)2)30(26,27)25(14-18-6-10-20(28-3)11-7-18)15-19-8-12-21(29-4)13-9-19;1-3-9-4-6(8-5(9)2)12(7,10)11/h6-13,16H,5,14-15H2,1-4H3;4H,3H2,1-2H3,(H2,7,10,11)
InChIKeyRFTRVBAYRLSJNQ-UHFFFAOYSA-N
XLogP3.48
TPSA151.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
CID 158630360
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide
CID 162013950
N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63258965
N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107493921
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
CID 63287765
3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 76933286
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062589
1-(2-hydroxybutyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 155166174
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide (CID 160613423) is 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1C.CCn1cc(S(N)(=O)=O)nc1C.
What is the InChIKey of 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is RFTRVBAYRLSJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S.C6H11N3O2S/c1-5-24-16-22(23-17(24)2)30(26,27)25(14-18-6-10-20(28-3)11-7-18)15-19-8-12-21(29-4)13-9-19;1-3-9-4-6(8-5(9)2)12(7,10)11/h6-13,16H,5,14-15H2,1-4H3;4H,3H2,1-2H3,(H2,7,10,11).
What are the key properties of 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide?
1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 618.78 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 160613423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).