2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide

C15H23ClN2O3S — CID 100625817

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-4-13(5-2)17-15(19)11-18(22(3,20)21)10-12-8-6-7-9-14(12)16/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyPVYJKFOFQYNEIJ-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.41
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide (PubChem CID 100625817) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
PubChem CID100625817
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-4-13(5-2)17-15(19)11-18(22(3,20)21)10-12-8-6-7-9-14(12)16/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyPVYJKFOFQYNEIJ-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 100748225
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 100527709
N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide
CID 100753386
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide
CID 100721116
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 100736246
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100537477
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124748989
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 100514614
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide (CID 100625817) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide?
The InChIKey is PVYJKFOFQYNEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-4-13(5-2)17-15(19)11-18(22(3,20)21)10-12-8-6-7-9-14(12)16/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide has a molecular weight of 346.88 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 100625817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).