N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide

C18H19N3O4S — CID 2802630

IUPACN-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O4S/c1-14(22)21-16-4-2-5-17(12-16)25-11-3-10-20-26(23,24)18-8-6-15(13-19)7-9-18/h2,4-9,12,20H,3,10-11H2,1H3,(H,21,22)
InChIKeyUESJPJOVARKTPN-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.26
Rot. Bonds8

About N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide

N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide (PubChem CID 2802630) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide
PubChem CID2802630
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O4S/c1-14(22)21-16-4-2-5-17(12-16)25-11-3-10-20-26(23,24)18-8-6-15(13-19)7-9-18/h2,4-9,12,20H,3,10-11H2,1H3,(H,21,22)
InChIKeyUESJPJOVARKTPN-UHFFFAOYSA-N
XLogP2.26
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide (CID 2802630) is N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCNS(=O)(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide?
The InChIKey is UESJPJOVARKTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-14(22)21-16-4-2-5-17(12-16)25-11-3-10-20-26(23,24)18-8-6-15(13-19)7-9-18/h2,4-9,12,20H,3,10-11H2,1H3,(H,21,22).
What are the key properties of N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide?
N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-cyanophenyl)sulfonylamino]propoxy]phenyl]acetamide is sourced from PubChem (CID 2802630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).