2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide

C23H27N3O5S — CID 5308470

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C23H27N3O5S/c1-6-30-21-10-8-7-9-20(21)24-22(27)14-26(19-12-15(2)11-16(3)13-19)32(28,29)23-17(4)25-31-18(23)5/h7-13H,6,14H2,1-5H3,(H,24,27)
InChIKeyQSSNYDRTMUGKFD-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.14
Rot. Bonds8

About 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 5308470) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide
PubChem CID5308470
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C23H27N3O5S/c1-6-30-21-10-8-7-9-20(21)24-22(27)14-26(19-12-15(2)11-16(3)13-19)32(28,29)23-17(4)25-31-18(23)5/h7-13H,6,14H2,1-5H3,(H,24,27)
InChIKeyQSSNYDRTMUGKFD-UHFFFAOYSA-N
XLogP4.14
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(2-ethoxyphenyl)-N~2~-(4-methylphenyl)glycinamide
CID 3244009
2-[N-(4-Methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-[(4-methylphenyl)methyl]acetamide
CID 20858863
N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3243890
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 3245908
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(4-ethylphenoxy)acetamide
CID 1107619
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(4-ethoxyphenyl)-N~1~-(3-methoxybenzyl)glycinamide
CID 3236341
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 3236935
N-(2,5-diethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3237587
N-(2,5-diethoxyphenyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3238457
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(3-methoxybenzyl)-N~2~-(4-methoxyphenyl)glycinamide
CID 3238782
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(2-methoxy-5-methylphenyl)-N~2~-(4-methoxyphenyl)glycinamide
CID 3239140
3-{[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)glycyl]amino}benzoic acid
CID 3240392

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide (CID 5308470) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is QSSNYDRTMUGKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-6-30-21-10-8-7-9-20(21)24-22(27)14-26(19-12-15(2)11-16(3)13-19)32(28,29)23-17(4)25-31-18(23)5/h7-13H,6,14H2,1-5H3,(H,24,27).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 457.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 5308470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).