N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide

C15H24N2O3S — CID 27255894

IUPACN-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-6-11-16-15(18)12-17(21(3,19)20)14-10-8-7-9-13(14)5-2/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyBPAKEDXFZZCSQN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds8

About N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide

N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 27255894) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID27255894
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-6-11-16-15(18)12-17(21(3,19)20)14-10-8-7-9-13(14)5-2/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyBPAKEDXFZZCSQN-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
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-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30219336
2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30219314
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30219322
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51342626
(2R)-N-butyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100560411
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21372752

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide (CID 27255894) is N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide is CCCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is BPAKEDXFZZCSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-6-11-16-15(18)12-17(21(3,19)20)14-10-8-7-9-13(14)5-2/h7-10H,4-6,11-12H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 27255894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).