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

C23H27N3O6S — CID 5307156

IUPACN-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C23H27N3O6S/c1-14-9-15(2)11-19(10-14)26(33(28,29)23-16(3)25-32-17(23)4)13-22(27)24-18-7-8-20(30-5)21(12-18)31-6/h7-12H,13H2,1-6H3,(H,24,27)
InChIKeyGNUBGQPTMXCFNO-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.76
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide (PubChem CID 5307156) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
PubChem CID5307156
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C23H27N3O6S/c1-14-9-15(2)11-19(10-14)26(33(28,29)23-16(3)25-32-17(23)4)13-22(27)24-18-7-8-20(30-5)21(12-18)31-6/h7-12H,13H2,1-6H3,(H,24,27)
InChIKeyGNUBGQPTMXCFNO-UHFFFAOYSA-N
XLogP3.76
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3235841
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(4-ethoxyphenyl)-N~1~-(3-methoxybenzyl)glycinamide
CID 3236341
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
N-(3,4-dimethoxyphenyl)-4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}benzamide
CID 3239202
3-{[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)glycyl]amino}benzoic acid
CID 3240392
N~1~-(2,5-diethoxyphenyl)-N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(4-methylphenyl)glycinamide
CID 3241947
ethyl 3-{[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)glycyl]amino}benzoate
CID 3244888
2-[N-(4-Ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(2-methylphenyl)acetamide
CID 5307214
N-(3,4-Dimethylphenyl)-2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
CID 5307319

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide (CID 5307156) is N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide is COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide?
The InChIKey is GNUBGQPTMXCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-14-9-15(2)11-19(10-14)26(33(28,29)23-16(3)25-32-17(23)4)13-22(27)24-18-7-8-20(30-5)21(12-18)31-6/h7-12H,13H2,1-6H3,(H,24,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide has a molecular weight of 473.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide is sourced from PubChem (CID 5307156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).