N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide

C16H26N2O3S — CID 100781337

IUPACN-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
SMILESCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2O3S/c1-6-14(5)17-16(19)11-18(7-2)22(20,21)15-10-12(3)8-9-13(15)4/h8-10,14H,6-7,11H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyJZIGUCLSQWAYLL-AWEZNQCLSA-N
MW326.46 g/mol
LogP2.23
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide

N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 100781337) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
PubChem CID100781337
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
SMILESCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2O3S/c1-6-14(5)17-16(19)11-18(7-2)22(20,21)15-10-12(3)8-9-13(15)4/h8-10,14H,6-7,11H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyJZIGUCLSQWAYLL-AWEZNQCLSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100781619
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100780938
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 100781629
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781224

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide (CID 100781337) is N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide is CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is JZIGUCLSQWAYLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-14(5)17-16(19)11-18(7-2)22(20,21)15-10-12(3)8-9-13(15)4/h8-10,14H,6-7,11H2,1-5H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 100781337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).