2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide

C17H19NO4S — CID 135029790

IUPAC2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)C(O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)12-18-17(20)16(19)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3,(H,18,20)
InChIKeyIQJBSYBVNNCLPP-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.45
Rot. Bonds6

About 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide

2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide (PubChem CID 135029790) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide
PubChem CID135029790
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)C(O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)12-18-17(20)16(19)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3,(H,18,20)
InChIKeyIQJBSYBVNNCLPP-UHFFFAOYSA-N
XLogP1.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide?
The IUPAC name of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide (CID 135029790) is 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide?
The canonical SMILES for 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)CNC(=O)C(O)Cc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide?
The InChIKey is IQJBSYBVNNCLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)12-18-17(20)16(19)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide?
2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide has a molecular weight of 333.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylpropanamide is sourced from PubChem (CID 135029790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).