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

C17H26N2O4S — CID 125061925

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O4S/c1-4-19(12-17(20)18-11-15-6-5-9-23-15)24(21,22)16-10-13(2)7-8-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyCVSDFXVMKVXEAD-OAHLLOKOSA-N
MW354.47 g/mol
LogP1.61
Rot. Bonds7

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

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 125061925) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID125061925
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O4S/c1-4-19(12-17(20)18-11-15-6-5-9-23-15)24(21,22)16-10-13(2)7-8-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyCVSDFXVMKVXEAD-OAHLLOKOSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2897190
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1307765
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9003858
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1266008
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1166795
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1073046
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 125061925) is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CVSDFXVMKVXEAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-19(12-17(20)18-11-15-6-5-9-23-15)24(21,22)16-10-13(2)7-8-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 354.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 125061925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).