2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide

C17H28N2O3S — CID 100781619

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H28N2O3S/c1-6-8-15(5)18-17(20)12-19(7-2)23(21,22)16-11-13(3)9-10-14(16)4/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyKNTQSXKMKLFNDS-OAHLLOKOSA-N
MW340.49 g/mol
LogP2.62
Rot. Bonds8

About 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 100781619) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID100781619
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H28N2O3S/c1-6-8-15(5)18-17(20)12-19(7-2)23(21,22)16-11-13(3)9-10-14(16)4/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyKNTQSXKMKLFNDS-OAHLLOKOSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.62
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-[(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
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126371750
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126394527
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[(2S)-pentan-2-yl]acetamide
CID 92518793
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126395375
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 100781629
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide (CID 100781619) is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is KNTQSXKMKLFNDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-8-15(5)18-17(20)12-19(7-2)23(21,22)16-11-13(3)9-10-14(16)4/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 340.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 100781619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).