2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide

C20H26N2O5S — CID 126136501

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-4-5-13-21-20(23)15-22(28(24,25)17-9-7-6-8-10-17)18-12-11-16(26-2)14-19(18)27-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
InChIKeyIPKHRSXMOUVWKV-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.82
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide

2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide (PubChem CID 126136501) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
PubChem CID126136501
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-4-5-13-21-20(23)15-22(28(24,25)17-9-7-6-8-10-17)18-12-11-16(26-2)14-19(18)27-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
InChIKeyIPKHRSXMOUVWKV-UHFFFAOYSA-N
XLogP2.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.82
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)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-phenoxyethyl)acetamide
CID 5234428
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
CID 3139074
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30204003
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2890006
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-ethoxyphenyl)acetamide
CID 994355
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 999354
N-(3-ethoxypropyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126131716
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6303075
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide (CID 126136501) is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide is CCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide?
The InChIKey is IPKHRSXMOUVWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-5-13-21-20(23)15-22(28(24,25)17-9-7-6-8-10-17)18-12-11-16(26-2)14-19(18)27-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide?
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide has a molecular weight of 406.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide is sourced from PubChem (CID 126136501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).