N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

C18H22N2O4S — CID 17450655

IUPACN-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)14-7-9-15(10-8-14)25(23,24)19-12-11-18(22)20-16-5-3-4-6-17(16)21/h3-10,13,19,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyXWSVEELWDISILV-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.82
Rot. Bonds7

About N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 17450655) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID17450655
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)14-7-9-15(10-8-14)25(23,24)19-12-11-18(22)20-16-5-3-4-6-17(16)21/h3-10,13,19,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyXWSVEELWDISILV-UHFFFAOYSA-N
XLogP2.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.82
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-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24681682
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
CID 9246818
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxyphenyl)acetamide
CID 50740127
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192963

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (CID 17450655) is N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is CC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2O)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is XWSVEELWDISILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(2)14-7-9-15(10-8-14)25(23,24)19-12-11-18(22)20-16-5-3-4-6-17(16)21/h3-10,13,19,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17450655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).