2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide

C20H25ClN2O5S — CID 126153789

IUPAC2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-3-28-14-4-13-22-20(24)15-23(17-7-5-16(21)6-8-17)29(25,26)19-11-9-18(27-2)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyWYNVLPMNHPIHKS-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.09
Rot. Bonds11

About 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide (PubChem CID 126153789) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
PubChem CID126153789
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-3-28-14-4-13-22-20(24)15-23(17-7-5-16(21)6-8-17)29(25,26)19-11-9-18(27-2)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyWYNVLPMNHPIHKS-UHFFFAOYSA-N
XLogP3.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.09
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-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126145191
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126271049
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30228923
N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126131716
N-[3-(4-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226858
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
N-(2-tert-butylsulfanylethyl)-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2286537
N-(3-ethoxypropyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152032
N-(3-benzylsulfanylpropyl)-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30228980

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide (CID 126153789) is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
The InChIKey is WYNVLPMNHPIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-3-28-14-4-13-22-20(24)15-23(17-7-5-16(21)6-8-17)29(25,26)19-11-9-18(27-2)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide?
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide has a molecular weight of 440.95 g/mol, XLogP of 3.09, 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-(4-methoxyphenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 126153789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).