N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide

C14H21ClN2O3S — CID 2889765

IUPACN-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-5-11(3)16-14(18)9-17(21(4,19)20)13-8-12(15)7-6-10(13)2/h6-8,11H,5,9H2,1-4H3,(H,16,18)
InChIKeyVOKMLCVYBHCCED-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.33
Rot. Bonds6

About N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide

N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 2889765) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID2889765
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-5-11(3)16-14(18)9-17(21(4,19)20)13-8-12(15)7-6-10(13)2/h6-8,11H,5,9H2,1-4H3,(H,16,18)
InChIKeyVOKMLCVYBHCCED-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125072929
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 30222970
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166334
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30222782
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
N-butan-2-yl-2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132727754
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 7438945
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide (CID 2889765) is N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide is CCC(C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is VOKMLCVYBHCCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-5-11(3)16-14(18)9-17(21(4,19)20)13-8-12(15)7-6-10(13)2/h6-8,11H,5,9H2,1-4H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2889765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).