N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide

C13H18N2O4S — CID 113061694

IUPACN-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)c1ccc(N(CCNS(C)(=O)=O)C(C)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)12-4-6-13(7-5-12)15(11(2)17)9-8-14-20(3,18)19/h4-7,14H,8-9H2,1-3H3
InChIKeyUNCWVYXWEMUMPA-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.79
Rot. Bonds6

About N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide

N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 113061694) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID113061694
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)c1ccc(N(CCNS(C)(=O)=O)C(C)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)12-4-6-13(7-5-12)15(11(2)17)9-8-14-20(3,18)19/h4-7,14H,8-9H2,1-3H3
InChIKeyUNCWVYXWEMUMPA-UHFFFAOYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
CID 113061635
N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide (CID 113061694) is N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide is CC(=O)c1ccc(N(CCNS(C)(=O)=O)C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is UNCWVYXWEMUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(16)12-4-6-13(7-5-12)15(11(2)17)9-8-14-20(3,18)19/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 298.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 113061694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).