N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide

C26H27N3O3S2 — CID 4566754

IUPACN-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide
SMILESCCn1c(SCCNS(=O)(=O)c2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H27N3O3S2/c1-3-29-25(21-12-8-5-9-13-21)24(20-10-6-4-7-11-20)28-26(29)33-19-18-27-34(30,31)23-16-14-22(32-2)15-17-23/h4-17,27H,3,18-19H2,1-2H3
InChIKeyQWBFCXXBXMLCOJ-UHFFFAOYSA-N
MW493.65 g/mol
LogP5.32
Rot. Bonds10

About N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide

N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide (PubChem CID 4566754) has the molecular formula C26H27N3O3S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide
PubChem CID4566754
Molecular FormulaC26H27N3O3S2
Molecular Weight493.65 g/mol
Exact Mass493.15
IUPAC NameN-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide
SMILESCCn1c(SCCNS(=O)(=O)c2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H27N3O3S2/c1-3-29-25(21-12-8-5-9-13-21)24(20-10-6-4-7-11-20)28-26(29)33-19-18-27-34(30,31)23-16-14-22(32-2)15-17-23/h4-17,27H,3,18-19H2,1-2H3
InChIKeyQWBFCXXBXMLCOJ-UHFFFAOYSA-N
XLogP5.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide
CID 42725796
N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-nitrobenzenesulfonamide
CID 4566482
N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
CID 3892183
ethyl 2-[2-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylethylcarbamoylamino]acetate
CID 3921935
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662
1-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4236781
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
CID 4553350
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 24825363
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2-fluorophenyl)urea
CID 3375678
N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dimethoxybenzamide
CID 4588239
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methoxybenzenesulfonamide
CID 31392089
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
CID 51204540

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide (CID 4566754) is N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide is CCn1c(SCCNS(=O)(=O)c2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide?
The InChIKey is QWBFCXXBXMLCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S2/c1-3-29-25(21-12-8-5-9-13-21)24(20-10-6-4-7-11-20)28-26(29)33-19-18-27-34(30,31)23-16-14-22(32-2)15-17-23/h4-17,27H,3,18-19H2,1-2H3.
What are the key properties of N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide?
N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide has a molecular weight of 493.65 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4566754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).