N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H24N2O4S — CID 51166424

IUPACN-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2O)c(C)c1
InChIInChI=1S/C19H24N2O4S/c1-12-5-6-16(17(22)11-12)21-18(23)7-8-20-26(24,25)19-14(3)9-13(2)10-15(19)4/h5-6,9-11,20,22H,7-8H2,1-4H3,(H,21,23)
InChIKeyOOFFWGSSASYVNO-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.93
Rot. Bonds6

About N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 51166424) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID51166424
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2O)c(C)c1
InChIInChI=1S/C19H24N2O4S/c1-12-5-6-16(17(22)11-12)21-18(23)7-8-20-26(24,25)19-14(3)9-13(2)10-15(19)4/h5-6,9-11,20,22H,7-8H2,1-4H3,(H,21,23)
InChIKeyOOFFWGSSASYVNO-UHFFFAOYSA-N
XLogP2.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-hydroxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 60513132
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(2,4-dimethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 27253650
N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119420945
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55524211

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 51166424) is N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2O)c(C)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is OOFFWGSSASYVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12-5-6-16(17(22)11-12)21-18(23)7-8-20-26(24,25)19-14(3)9-13(2)10-15(19)4/h5-6,9-11,20,22H,7-8H2,1-4H3,(H,21,23).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 51166424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).