3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide

C21H27NO4S — CID 110614832

IUPAC3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCCc2ccccc2O)cc1
InChIInChI=1S/C21H27NO4S/c1-21(2,3)17-8-10-18(11-9-17)27(25,26)15-13-20(24)22-14-12-16-6-4-5-7-19(16)23/h4-11,23H,12-15H2,1-3H3,(H,22,24)
InChIKeyVZLZTZYJNGSBQG-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.21
Rot. Bonds7

About 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide

3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide (PubChem CID 110614832) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
PubChem CID110614832
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCCc2ccccc2O)cc1
InChIInChI=1S/C21H27NO4S/c1-21(2,3)17-8-10-18(11-9-17)27(25,26)15-13-20(24)22-14-12-16-6-4-5-7-19(16)23/h4-11,23H,12-15H2,1-3H3,(H,22,24)
InChIKeyVZLZTZYJNGSBQG-UHFFFAOYSA-N
XLogP3.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]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

3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 9391675
3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
CID 110410639
3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2108565
3-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 110410220
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide (CID 110614832) is 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide is CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCCc2ccccc2O)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide?
The InChIKey is VZLZTZYJNGSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-21(2,3)17-8-10-18(11-9-17)27(25,26)15-13-20(24)22-14-12-16-6-4-5-7-19(16)23/h4-11,23H,12-15H2,1-3H3,(H,22,24).
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide?
3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide has a molecular weight of 389.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110614832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).