N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide

C13H20N2O4S — CID 110790279

IUPACN-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide
SMILESCCOc1ccc(CCNS(C)(=O)=O)cc1NC(C)=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-13-6-5-11(7-8-14-20(3,17)18)9-12(13)15-10(2)16/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyPKMOUQBIUHGURL-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.14
Rot. Bonds7

About N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide

N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide (PubChem CID 110790279) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide
PubChem CID110790279
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide
SMILESCCOc1ccc(CCNS(C)(=O)=O)cc1NC(C)=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-13-6-5-11(7-8-14-20(3,17)18)9-12(13)15-10(2)16/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyPKMOUQBIUHGURL-UHFFFAOYSA-N
XLogP1.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide
CID 98015653
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788916
N-[2-(3-chloro-4-ethoxyphenyl)ethyl]propane-1-sulfonamide
CID 110788917
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide?
The IUPAC name of N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide (CID 110790279) is N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide is CCOc1ccc(CCNS(C)(=O)=O)cc1NC(C)=O.
What is the InChIKey of N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide?
The InChIKey is PKMOUQBIUHGURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-19-13-6-5-11(7-8-14-20(3,17)18)9-12(13)15-10(2)16/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide?
N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide is sourced from PubChem (CID 110790279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).