N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C20H27N3O5S — CID 7237376

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)C[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C20H27N3O5S/c1-13-8-14(2)20(15(3)9-13)29(25,26)23(11-17-6-5-7-27-17)12-19(24)21-18-10-16(4)28-22-18/h8-10,17H,5-7,11-12H2,1-4H3,(H,21,22,24)/t17-/m1/s1
InChIKeyJNEHWAXBUQSZBL-QGZVFWFLSA-N
MW421.52 g/mol
LogP2.72
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 7237376) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID7237376
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)C[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C20H27N3O5S/c1-13-8-14(2)20(15(3)9-13)29(25,26)23(11-17-6-5-7-27-17)12-19(24)21-18-10-16(4)28-22-18/h8-10,17H,5-7,11-12H2,1-4H3,(H,21,22,24)/t17-/m1/s1
InChIKeyJNEHWAXBUQSZBL-QGZVFWFLSA-N
XLogP2.72
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 55352557
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3660092
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 42771544
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3662626
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide
CID 7397522
2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 7217401
2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3681112
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41452901
N-benzyl-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3938356

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 7237376) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)C[C@H]2CCCO2)c(C)c1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is JNEHWAXBUQSZBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-13-8-14(2)20(15(3)9-13)29(25,26)23(11-17-6-5-7-27-17)12-19(24)21-18-10-16(4)28-22-18/h8-10,17H,5-7,11-12H2,1-4H3,(H,21,22,24)/t17-/m1/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 421.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 7237376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).