N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

C16H26N2O4S — CID 113155322

IUPACN-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1OC(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-6-11-17-16(19)12-18(23(4,20)21)14-9-7-8-10-15(14)22-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyCTYNKMYHBFYBJW-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.16
Rot. Bonds9

About N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (PubChem CID 113155322) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
PubChem CID113155322
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1OC(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-6-11-17-16(19)12-18(23(4,20)21)14-9-7-8-10-15(14)22-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyCTYNKMYHBFYBJW-UHFFFAOYSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155378
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155382
2-(2-bromo-N-methylsulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30223937
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155395

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (CID 113155322) is N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is CCCCNC(=O)CN(c1ccccc1OC(C)C)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The InChIKey is CTYNKMYHBFYBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-6-11-17-16(19)12-18(23(4,20)21)14-9-7-8-10-15(14)22-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide has a molecular weight of 342.46 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 113155322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).