N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C17H22N2O3S — CID 126130247

IUPACN-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCCCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-3-4-12-18-17(20)13-19(23(2,21)22)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)
InChIKeyFZWPFNNIUFETBM-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.52
Rot. Bonds7

About N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 126130247) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID126130247
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCCCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-3-4-12-18-17(20)13-19(23(2,21)22)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)
InChIKeyFZWPFNNIUFETBM-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807
N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224429
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 2283332
N-[2-(4-methylphenoxy)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224282
2-[benzyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152534
N-butyl-2-[(4-chlorophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]propanamide
CID 132733603
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
CID 113154007

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 126130247) is N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is CCCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is FZWPFNNIUFETBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-4-12-18-17(20)13-19(23(2,21)22)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 126130247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).