2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide

C20H26N2O5S — CID 30243337

IUPAC2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-26-18-12-6-4-9-16(18)10-8-14-21-20(23)15-22(28(3,24)25)17-11-5-7-13-19(17)27-2/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,21,23)
InChIKeyROBZMRUMELXMJU-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.22
Rot. Bonds10

About 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide

2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide (PubChem CID 30243337) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
PubChem CID30243337
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-26-18-12-6-4-9-16(18)10-8-14-21-20(23)15-22(28(3,24)25)17-11-5-7-13-19(17)27-2/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,21,23)
InChIKeyROBZMRUMELXMJU-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30277429
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30246310
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 31115277
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30225307
N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220809
N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 30222330
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30220604
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30205214
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220284
N-(3-benzylsulfanylpropyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 30243383

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide (CID 30243337) is 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide is COc1ccccc1CCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
The InChIKey is ROBZMRUMELXMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-26-18-12-6-4-9-16(18)10-8-14-21-20(23)15-22(28(3,24)25)17-11-5-7-13-19(17)27-2/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide?
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30243337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).