N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide

C20H25NO4S — CID 91652928

IUPACN-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1
InChIInChI=1S/C20H25NO4S/c1-20(2,17-6-4-3-5-7-17)14-19(23)21-15-16-8-10-18(11-9-16)26(24,25)13-12-22/h3-11,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyCPETYUZKIAFLRB-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.44
Rot. Bonds8

About N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide

N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide (PubChem CID 91652928) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide
PubChem CID91652928
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1
InChIInChI=1S/C20H25NO4S/c1-20(2,17-6-4-3-5-7-17)14-19(23)21-15-16-8-10-18(11-9-16)26(24,25)13-12-22/h3-11,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyCPETYUZKIAFLRB-UHFFFAOYSA-N
XLogP2.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide 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

(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide
CID 124850886
3-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 110410220
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-benzylacetamide
CID 2819433
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
CID 110295213

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide (CID 91652928) is N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide is CC(C)(CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide?
The InChIKey is CPETYUZKIAFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-20(2,17-6-4-3-5-7-17)14-19(23)21-15-16-8-10-18(11-9-16)26(24,25)13-12-22/h3-11,22H,12-15H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide?
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide has a molecular weight of 375.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 91652928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).