2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide

C23H30N2O5S2 — CID 43057833

IUPAC2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C23H30N2O5S2/c1-17-8-10-21(11-9-17)32(27,28)25-22(12-14-31-2)23(26)24-18-5-3-6-19(15-18)30-16-20-7-4-13-29-20/h3,5-6,8-11,15,20,22,25H,4,7,12-14,16H2,1-2H3,(H,24,26)
InChIKeyUQQJIMKWHUPVLU-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.59
Rot. Bonds11

About 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide

2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 43057833) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID43057833
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C23H30N2O5S2/c1-17-8-10-21(11-9-17)32(27,28)25-22(12-14-31-2)23(26)24-18-5-3-6-19(15-18)30-16-20-7-4-13-29-20/h3,5-6,8-11,15,20,22,25H,4,7,12-14,16H2,1-2H3,(H,24,26)
InChIKeyUQQJIMKWHUPVLU-UHFFFAOYSA-N
XLogP3.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide 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-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119284120
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide
CID 42939232
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methoxyphenyl)-4-methylsulfanylbutanamide
CID 24535948
2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17141875
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46803573
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46513548
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 43057833) is 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is UQQJIMKWHUPVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-17-8-10-21(11-9-17)32(27,28)25-22(12-14-31-2)23(26)24-18-5-3-6-19(15-18)30-16-20-7-4-13-29-20/h3,5-6,8-11,15,20,22,25H,4,7,12-14,16H2,1-2H3,(H,24,26).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide has a molecular weight of 478.64 g/mol, XLogP of 3.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 43057833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).