2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide

C21H27N3O6S — CID 2891038

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O6S/c1-16(25)23-17-5-11-20(12-6-17)31(27,28)24(15-21(26)22-13-4-14-29-2)18-7-9-19(30-3)10-8-18/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyDOIRJTALPNLSRO-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.00
Rot. Bonds11

About 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide

2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 2891038) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
PubChem CID2891038
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O6S/c1-16(25)23-17-5-11-20(12-6-17)31(27,28)24(15-21(26)22-13-4-14-29-2)18-7-9-19(30-3)10-8-18/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyDOIRJTALPNLSRO-UHFFFAOYSA-N
XLogP2.00
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)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

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
Ucm 765
CID 24749950
Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3674642
3-amino-N-(4-methoxyphenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3746718
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1095014
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide (CID 2891038) is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is DOIRJTALPNLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-16(25)23-17-5-11-20(12-6-17)31(27,28)24(15-21(26)22-13-4-14-29-2)18-7-9-19(30-3)10-8-18/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2891038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).