2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide

C23H32N2O4S — CID 30242392

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O4S/c1-5-19-11-13-21(14-12-19)25(30(4,27)28)17-23(26)24-15-7-9-20-8-6-10-22(16-20)29-18(2)3/h6,8,10-14,16,18H,5,7,9,15,17H2,1-4H3,(H,24,26)
InChIKeyBDSIWKDVHKMCAW-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.55
Rot. Bonds11

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide (PubChem CID 30242392) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
PubChem CID30242392
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O4S/c1-5-19-11-13-21(14-12-19)25(30(4,27)28)17-23(26)24-15-7-9-20-8-6-10-22(16-20)29-18(2)3/h6,8,10-14,16,18H,5,7,9,15,17H2,1-4H3,(H,24,26)
InChIKeyBDSIWKDVHKMCAW-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)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-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30253885
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30245426
2-[N-(benzenesulfonyl)anilino]-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30174041
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242457
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30229496
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30219413
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271635
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide (CID 30242392) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide is CCc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide?
The InChIKey is BDSIWKDVHKMCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-5-19-11-13-21(14-12-19)25(30(4,27)28)17-23(26)24-15-7-9-20-8-6-10-22(16-20)29-18(2)3/h6,8,10-14,16,18H,5,7,9,15,17H2,1-4H3,(H,24,26).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide is sourced from PubChem (CID 30242392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).