2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide

C25H26Cl2N2O5S — CID 43898830

IUPAC2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C25H26Cl2N2O5S/c1-33-23-14-13-22(16-24(23)34-2)35(31,32)29(21-11-9-20(27)10-12-21)17-25(30)28-15-3-4-18-5-7-19(26)8-6-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,30)
InChIKeyRHWIJTOXZCIBHX-UHFFFAOYSA-N
MW537.47 g/mol
LogP4.95
Rot. Bonds11

About 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide

2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide (PubChem CID 43898830) has the molecular formula C25H26Cl2N2O5S and a molecular weight of 537.47 g/mol. Its IUPAC name is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
PubChem CID43898830
Molecular FormulaC25H26Cl2N2O5S
Molecular Weight537.47 g/mol
Exact Mass536.09
IUPAC Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C25H26Cl2N2O5S/c1-33-23-14-13-22(16-24(23)34-2)35(31,32)29(21-11-9-20(27)10-12-21)17-25(30)28-15-3-4-18-5-7-19(26)8-6-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,30)
InChIKeyRHWIJTOXZCIBHX-UHFFFAOYSA-N
XLogP4.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30214103
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244396
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 43896909
N-[3-(4-chlorophenyl)propyl]-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43901074
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30228923
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 43896535
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43899535
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
N-[3-(4-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226858
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227497
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30205747

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide (CID 43898830) is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
The InChIKey is RHWIJTOXZCIBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O5S/c1-33-23-14-13-22(16-24(23)34-2)35(31,32)29(21-11-9-20(27)10-12-21)17-25(30)28-15-3-4-18-5-7-19(26)8-6-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide?
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide has a molecular weight of 537.47 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 43898830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).