2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

C24H20ClN3O3S2 — CID 6219678

IUPAC2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C24H20ClN3O3S2/c1-15-6-3-4-8-19(15)26-22(29)14-33-24-27-20(13-17-7-5-11-32-17)23(30)28(24)16-9-10-21(31-2)18(25)12-16/h3-13H,14H2,1-2H3,(H,26,29)/b20-13-
InChIKeyBQONBDWDAOEAQM-MOSHPQCFSA-N
MW498.03 g/mol
LogP5.83
Rot. Bonds6

About 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 6219678) has the molecular formula C24H20ClN3O3S2 and a molecular weight of 498.03 g/mol. Its IUPAC name is 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID6219678
Molecular FormulaC24H20ClN3O3S2
Molecular Weight498.03 g/mol
Exact Mass497.06
IUPAC Name2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C24H20ClN3O3S2/c1-15-6-3-4-8-19(15)26-22(29)14-33-24-27-20(13-17-7-5-11-32-17)23(30)28(24)16-9-10-21(31-2)18(25)12-16/h3-13H,14H2,1-2H3,(H,26,29)/b20-13-
InChIKeyBQONBDWDAOEAQM-MOSHPQCFSA-N
XLogP5.83
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 6219678) is 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2C)cc1Cl.
What is the InChIKey of 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is BQONBDWDAOEAQM-MOSHPQCFSA-N. The full InChI is InChI=1S/C24H20ClN3O3S2/c1-15-6-3-4-8-19(15)26-22(29)14-33-24-27-20(13-17-7-5-11-32-17)23(30)28(24)16-9-10-21(31-2)18(25)12-16/h3-13H,14H2,1-2H3,(H,26,29)/b20-13-.
What are the key properties of 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 498.03 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 6219678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).