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

C13H19ClN2O3S — CID 113154773

IUPACN-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-3-4-9-15-13(17)10-16(20(2,18)19)12-8-6-5-7-11(12)14/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyXJALMXCFRLGPLO-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.02
Rot. Bonds7

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

N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide (PubChem CID 113154773) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
PubChem CID113154773
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-3-4-9-15-13(17)10-16(20(2,18)19)12-8-6-5-7-11(12)14/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyXJALMXCFRLGPLO-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.02
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-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2290460
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220284
N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 21372765
(2S)-2-[benzyl-[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100581321
2-(2-chloro-N-methylsulfonylanilino)-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219561
N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 43895399
N-butyl-2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]propanamide
CID 133150846

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide (CID 113154773) is N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide is CCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The InChIKey is XJALMXCFRLGPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-3-4-9-15-13(17)10-16(20(2,18)19)12-8-6-5-7-11(12)14/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide?
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide has a molecular weight of 318.83 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).