N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

C20H26N2O4S — CID 30269196

IUPACN-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-4-5-13-21-20(23)15-22(17-9-7-6-8-10-17)27(24,25)18-11-12-19(26-3)16(2)14-18/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
InChIKeyADYATZYEMARITJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.12
Rot. Bonds9

About N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30269196) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
PubChem CID30269196
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-4-5-13-21-20(23)15-22(17-9-7-6-8-10-17)27(24,25)18-11-12-19(26-3)16(2)14-18/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
InChIKeyADYATZYEMARITJ-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)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

N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30271841
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271613
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30277462
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265589
N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263600
N-[(4-ethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30273048
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30277070
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276576
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900475
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263518
N-(2-ethoxyphenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30259956

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (CID 30269196) is N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is CCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is ADYATZYEMARITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-5-13-21-20(23)15-22(17-9-7-6-8-10-17)27(24,25)18-11-12-19(26-3)16(2)14-18/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23).
What are the key properties of N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30269196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).