N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide

C13H20N2O3S — CID 108574101

IUPACN-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-11-5-7-12(8-6-11)19(17,18)15-10-9-14-13(16)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKeyZPPRZPDWQJNVNX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.05
Rot. Bonds7

About N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide

N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 108574101) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID108574101
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-11-5-7-12(8-6-11)19(17,18)15-10-9-14-13(16)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKeyZPPRZPDWQJNVNX-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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Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
2-(2-ethylphenoxy)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 108574520
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide (CID 108574101) is N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide is CCC(=O)NCCNS(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is ZPPRZPDWQJNVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-11-5-7-12(8-6-11)19(17,18)15-10-9-14-13(16)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide?
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide 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-ethylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108574101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).