N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide

C13H20N2O3S — CID 31481872

IUPACN-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)12-4-6-13(7-5-12)19(17,18)15-9-8-14-11(3)16/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyZDXCHIROLBDUSJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.22
Rot. Bonds6

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

N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 31481872) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID31481872
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)12-4-6-13(7-5-12)19(17,18)15-9-8-14-11(3)16/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyZDXCHIROLBDUSJ-UHFFFAOYSA-N
XLogP1.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.22
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-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
CID 47173310
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide (CID 31481872) is N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is ZDXCHIROLBDUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)12-4-6-13(7-5-12)19(17,18)15-9-8-14-11(3)16/h4-7,10,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 31481872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).