N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide

C15H23N3O4S — CID 113148772

IUPACN-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-5-11(2)18(23(4,21)22)10-15(20)17-14-8-6-7-13(9-14)16-12(3)19/h6-9,11H,5,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyLXEQNKDVBPTMOE-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.64
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide

N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide (PubChem CID 113148772) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
PubChem CID113148772
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-5-11(2)18(23(4,21)22)10-15(20)17-14-8-6-7-13(9-14)16-12(3)19/h6-9,11H,5,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyLXEQNKDVBPTMOE-UHFFFAOYSA-N
XLogP1.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147787
2-[butan-2-yl(methylsulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113148752
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
CID 113148818
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147743
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113137105
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
CID 113166199
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113136185

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide (CID 113148772) is N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide is CCC(C)N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide?
The InChIKey is LXEQNKDVBPTMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-5-11(2)18(23(4,21)22)10-15(20)17-14-8-6-7-13(9-14)16-12(3)19/h6-9,11H,5,10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide?
N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide has a molecular weight of 341.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113148772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).