2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide

C19H23N3O4S — CID 2445868

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-15(23)22-17-9-11-18(12-10-17)27(25,26)21-14-19(24)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,21H,5,8,13-14H2,1H3,(H,20,24)(H,22,23)
InChIKeyOLYWNJPCKPVRHW-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.67
Rot. Bonds9

About 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 2445868) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
PubChem CID2445868
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-15(23)22-17-9-11-18(12-10-17)27(25,26)21-14-19(24)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,21H,5,8,13-14H2,1H3,(H,20,24)(H,22,23)
InChIKeyOLYWNJPCKPVRHW-UHFFFAOYSA-N
XLogP1.67
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide (CID 2445868) is 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is OLYWNJPCKPVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-15(23)22-17-9-11-18(12-10-17)27(25,26)21-14-19(24)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,21H,5,8,13-14H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2445868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).