N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide

C13H20N2O3S — CID 3719587

IUPACN-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCc1ccc(S(=O)(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-4-12-5-7-13(8-6-12)19(17,18)15-10-9-14-11(2)16/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKeyKAHRXDVVTVGAGZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.05
Rot. Bonds7

About N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 3719587) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID3719587
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCc1ccc(S(=O)(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-4-12-5-7-13(8-6-12)19(17,18)15-10-9-14-11(2)16/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKeyKAHRXDVVTVGAGZ-UHFFFAOYSA-N
XLogP1.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide (CID 3719587) is N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide is CCCc1ccc(S(=O)(=O)NCCNC(C)=O)cc1.
What is the InChIKey of N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is KAHRXDVVTVGAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-4-12-5-7-13(8-6-12)19(17,18)15-10-9-14-11(2)16/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 3719587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).