2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide

C19H24N2O5S — CID 22305132

IUPAC2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(OC)c(S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C19H24N2O5S/c1-4-12-20-17(22)13-21-15-10-11-16(25-2)19(18(15)26-3)27(23,24)14-8-6-5-7-9-14/h5-11,21H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyBBMNJSOETIRKKU-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.47
Rot. Bonds9

About 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide

2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide (PubChem CID 22305132) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide
PubChem CID22305132
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(OC)c(S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C19H24N2O5S/c1-4-12-20-17(22)13-21-15-10-11-16(25-2)19(18(15)26-3)27(23,24)14-8-6-5-7-9-14/h5-11,21H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyBBMNJSOETIRKKU-UHFFFAOYSA-N
XLogP2.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 22307389
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
CID 22304181
N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304403
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 22303956
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
CID 22307377
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
CID 22304187
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
2-[(2-methoxyphenyl)carbamoylamino]-N-propylacetamide
CID 27868610
2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22304597
N-propyl-2-(2-sulfamoylanilino)acetamide
CID 43567437
2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
CID 22307537

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide (CID 22305132) is 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide is CCCNC(=O)CNc1ccc(OC)c(S(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide?
The InChIKey is BBMNJSOETIRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-12-20-17(22)13-21-15-10-11-16(25-2)19(18(15)26-3)27(23,24)14-8-6-5-7-9-14/h5-11,21H,4,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide?
2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide has a molecular weight of 392.48 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide is sourced from PubChem (CID 22305132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).