5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide

C25H23ClN2O5S — CID 24578752

IUPAC5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N(c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H23ClN2O5S/c26-18-11-12-23(22(15-18)25(30)27-19-7-3-1-4-8-19)33-16-24(29)28(20-9-5-2-6-10-20)21-13-14-34(31,32)17-21/h1-12,15,21H,13-14,16-17H2,(H,27,30)
InChIKeyJMEZYHHYQQELLZ-UHFFFAOYSA-N
MW498.99 g/mol
LogP4.19
Rot. Bonds7

About 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide

5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24578752) has the molecular formula C25H23ClN2O5S and a molecular weight of 498.99 g/mol. Its IUPAC name is 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24578752
Molecular FormulaC25H23ClN2O5S
Molecular Weight498.99 g/mol
Exact Mass498.10
IUPAC Name5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N(c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H23ClN2O5S/c26-18-11-12-23(22(15-18)25(30)27-19-7-3-1-4-8-19)33-16-24(29)28(20-9-5-2-6-10-20)21-13-14-34(31,32)17-21/h1-12,15,21H,13-14,16-17H2,(H,27,30)
InChIKeyJMEZYHHYQQELLZ-UHFFFAOYSA-N
XLogP4.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7503891
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7816188
2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7818841
2-(2-chloro-4-fluorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 78638364
methyl 2-[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethoxy]benzoate
CID 7763982
2-(3-chloro-4-fluorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7751035
2-(2-chloro-4-cyanophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8977173
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24562064
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)-N-phenylacetamide
CID 7817842
[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 17479081
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867468
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7493477

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide (CID 24578752) is 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N(c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is JMEZYHHYQQELLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O5S/c26-18-11-12-23(22(15-18)25(30)27-19-7-3-1-4-8-19)33-16-24(29)28(20-9-5-2-6-10-20)21-13-14-34(31,32)17-21/h1-12,15,21H,13-14,16-17H2,(H,27,30).
What are the key properties of 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide?
5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 498.99 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24578752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).