N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide

C15H23ClN2O3S — CID 113154880

IUPACN-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-5-6-10-17(3)15(19)11-18(22(4,20)21)14-9-7-8-13(16)12(14)2/h7-9H,5-6,10-11H2,1-4H3
InChIKeyWQHVPQUDKKQCSQ-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.67
Rot. Bonds7

About N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide

N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 113154880) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID113154880
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-5-6-10-17(3)15(19)11-18(22(4,20)21)14-9-7-8-13(16)12(14)2/h7-9H,5-6,10-11H2,1-4H3
InChIKeyWQHVPQUDKKQCSQ-UHFFFAOYSA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154877
N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 30168992
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113154894
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 7438945

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide (CID 113154880) is N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide is CCCCN(C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is WQHVPQUDKKQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-5-6-10-17(3)15(19)11-18(22(4,20)21)14-9-7-8-13(16)12(14)2/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 346.88 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 113154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).