N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

C15H24N2O3S — CID 100780938

IUPACN-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O3S/c1-6-13(4)16-15(18)10-17(5)21(19,20)14-9-11(2)7-8-12(14)3/h7-9,13H,6,10H2,1-5H3,(H,16,18)/t13-/m1/s1
InChIKeyDFBXYTWSIPFZRI-CYBMUJFWSA-N
MW312.44 g/mol
LogP1.84
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 100780938) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID100780938
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O3S/c1-6-13(4)16-15(18)10-17(5)21(19,20)14-9-11(2)7-8-12(14)3/h7-9,13H,6,10H2,1-5H3,(H,16,18)/t13-/m1/s1
InChIKeyDFBXYTWSIPFZRI-CYBMUJFWSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781337
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 125062230
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100781619
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 100780938) is N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is DFBXYTWSIPFZRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-13(4)16-15(18)10-17(5)21(19,20)14-9-11(2)7-8-12(14)3/h7-9,13H,6,10H2,1-5H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100780938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).