2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

C28H27Cl2N3O3S — CID 3913121

IUPAC2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCOc1ccc(-c2nc(SCC(=O)NCCc3ccc(Cl)cc3Cl)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27Cl2N3O3S/c1-33-27(20-7-12-23(36-3)13-8-20)26(19-5-10-22(35-2)11-6-19)32-28(33)37-17-25(34)31-15-14-18-4-9-21(29)16-24(18)30/h4-13,16H,14-15,17H2,1-3H3,(H,31,34)
InChIKeyRYQUNSDIMBCRPW-UHFFFAOYSA-N
MW556.52 g/mol
LogP6.53
Rot. Bonds10

About 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 3913121) has the molecular formula C28H27Cl2N3O3S and a molecular weight of 556.52 g/mol. Its IUPAC name is 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID3913121
Molecular FormulaC28H27Cl2N3O3S
Molecular Weight556.52 g/mol
Exact Mass555.12
IUPAC Name2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCOc1ccc(-c2nc(SCC(=O)NCCc3ccc(Cl)cc3Cl)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H27Cl2N3O3S/c1-33-27(20-7-12-23(36-3)13-8-20)26(19-5-10-22(35-2)11-6-19)32-28(33)37-17-25(34)31-15-14-18-4-9-21(29)16-24(18)30/h4-13,16H,14-15,17H2,1-3H3,(H,31,34)
InChIKeyRYQUNSDIMBCRPW-UHFFFAOYSA-N
XLogP6.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.52
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylethyl]-2-(4-chlorophenoxy)acetamide
CID 42725822
N-[2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylethyl]-3,4-dichlorobenzamide
CID 3900289
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 2411653
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42734335
N-[2-(2,4-dichlorophenyl)ethyl]-2-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 42739275
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 8723107
N-[2-(2,4-dichlorophenyl)ethyl]-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 4652456
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
N-[2-(2,4-dichlorophenyl)ethyl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanylpentanamide
CID 3569556
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 9454283
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25047916

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (CID 3913121) is 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is COc1ccc(-c2nc(SCC(=O)NCCc3ccc(Cl)cc3Cl)n(C)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is RYQUNSDIMBCRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O3S/c1-33-27(20-7-12-23(36-3)13-8-20)26(19-5-10-22(35-2)11-6-19)32-28(33)37-17-25(34)31-15-14-18-4-9-21(29)16-24(18)30/h4-13,16H,14-15,17H2,1-3H3,(H,31,34).
What are the key properties of 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 556.52 g/mol, XLogP of 6.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 3913121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).