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

C22H22ClN3O3S2 — CID 4537464

IUPAC2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
SMILESCOc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SCC(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C22H22ClN3O3S2/c1-29-19-9-8-15(11-17(19)23)26-21(28)18(12-16-7-4-10-30-16)25-22(26)31-13-20(27)24-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6,13H2,1H3,(H,24,27)
InChIKeyZTAOVQOXNANGMB-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.95
Rot. Bonds6

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

2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide (PubChem CID 4537464) has the molecular formula C22H22ClN3O3S2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
PubChem CID4537464
Molecular FormulaC22H22ClN3O3S2
Molecular Weight476.02 g/mol
Exact Mass475.08
IUPAC Name2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
SMILESCOc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SCC(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C22H22ClN3O3S2/c1-29-19-9-8-15(11-17(19)23)26-21(28)18(12-16-7-4-10-30-16)25-22(26)31-13-20(27)24-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6,13H2,1H3,(H,24,27)
InChIKeyZTAOVQOXNANGMB-UHFFFAOYSA-N
XLogP4.95
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.95
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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Related Compounds

2-[(4E)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopropylacetamide
CID 2680958
2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 4811857
2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 3532149
2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanyl-N-cyclooctylacetamide
CID 2413236
2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 3511191
(5Z)-3-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 2485428
3-(3-chloro-4-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 3314742
2-[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 6219678
(5E)-2-(2-butoxyethylsulfanyl)-3-(3-chloro-4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 60524550
2-but-2-ynylsulfanyl-3-(3-chloro-4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 76854198
(5E)-3-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 24621852
(5E)-3-(3-chloro-4-methoxyphenyl)-2-propan-2-ylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 18074784

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide (CID 4537464) is 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide is COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SCC(=O)NC2CCCC2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
The InChIKey is ZTAOVQOXNANGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S2/c1-29-19-9-8-15(11-17(19)23)26-21(28)18(12-16-7-4-10-30-16)25-22(26)31-13-20(27)24-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6,13H2,1H3,(H,24,27).
What are the key properties of 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide has a molecular weight of 476.02 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 4537464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).