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

C13H20N2O4S — CID 47173310

IUPACN-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-10-19-12-4-6-13(7-5-12)20(17,18)15-9-8-14-11(2)16/h4-7,15H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyZZYFBQYGTZPBAR-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.89
Rot. Bonds8

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

N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 47173310) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID47173310
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-10-19-12-4-6-13(7-5-12)20(17,18)15-9-8-14-11(2)16/h4-7,15H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyZZYFBQYGTZPBAR-UHFFFAOYSA-N
XLogP0.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-propoxybenzenesulfonamide
CID 103834889
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
ethyl 4-[(4-butoxyphenyl)sulfonylamino]butanoate
CID 3867578
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
2-methoxy-3-[(4-propoxyphenyl)sulfonylamino]propanoic acid
CID 104936715

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide (CID 47173310) is N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide is CCCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1.
What is the InChIKey of N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is ZZYFBQYGTZPBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-10-19-12-4-6-13(7-5-12)20(17,18)15-9-8-14-11(2)16/h4-7,15H,3,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 47173310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).