3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide

C22H30N2O4S — CID 55869727

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
SMILESCc1ccc(OCCCCNC(=O)CCNS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H30N2O4S/c1-17-6-9-20(10-7-17)28-15-5-4-13-23-22(25)12-14-24-29(26,27)21-11-8-18(2)16-19(21)3/h6-11,16,24H,4-5,12-15H2,1-3H3,(H,23,25)
InChIKeyCWPUMFZOGGBQIR-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.26
Rot. Bonds11

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide (PubChem CID 55869727) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
PubChem CID55869727
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
SMILESCc1ccc(OCCCCNC(=O)CCNS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H30N2O4S/c1-17-6-9-20(10-7-17)28-15-5-4-13-23-22(25)12-14-24-29(26,27)21-11-8-18(2)16-19(21)3/h6-11,16,24H,4-5,12-15H2,1-3H3,(H,23,25)
InChIKeyCWPUMFZOGGBQIR-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide 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-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide
CID 55945803
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide
CID 47159796

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide (CID 55869727) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide is Cc1ccc(OCCCCNC(=O)CCNS(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide?
The InChIKey is CWPUMFZOGGBQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-17-6-9-20(10-7-17)28-15-5-4-13-23-22(25)12-14-24-29(26,27)21-11-8-18(2)16-19(21)3/h6-11,16,24H,4-5,12-15H2,1-3H3,(H,23,25).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide is sourced from PubChem (CID 55869727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).