3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide

C22H30N2O4S — CID 60516647

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-16(2)28-19-10-8-18(9-11-19)24-21(25)14-15-23-29(26,27)20-12-6-17(7-13-20)22(3,4)5/h6-13,16,23H,14-15H2,1-5H3,(H,24,25)
InChIKeyPXAAGDJVLBIUEJ-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.08
Rot. Bonds8

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 60516647) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID60516647
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-16(2)28-19-10-8-18(9-11-19)24-21(25)14-15-23-29(26,27)20-12-6-17(7-13-20)22(3,4)5/h6-13,16,23H,14-15H2,1-5H3,(H,24,25)
InChIKeyPXAAGDJVLBIUEJ-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)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

methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate
CID 9413514
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800768
4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55346398
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 60516647) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is PXAAGDJVLBIUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16(2)28-19-10-8-18(9-11-19)24-21(25)14-15-23-29(26,27)20-12-6-17(7-13-20)22(3,4)5/h6-13,16,23H,14-15H2,1-5H3,(H,24,25).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 418.56 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 60516647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).