2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide

C22H25N3O5S — CID 20858863

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O5S/c1-15-5-7-18(8-6-15)13-23-21(26)14-25(19-9-11-20(29-4)12-10-19)31(27,28)22-16(2)24-30-17(22)3/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyMNZOMORFVFEFBB-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.12
Rot. Bonds8

About 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 20858863) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID20858863
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O5S/c1-15-5-7-18(8-6-15)13-23-21(26)14-25(19-9-11-20(29-4)12-10-19)31(27,28)22-16(2)24-30-17(22)3/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyMNZOMORFVFEFBB-UHFFFAOYSA-N
XLogP3.12
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.12
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
N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 3240730
1-({5-[(1E)-2-(Dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 20876093
N-{4-[({[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}amino)sulfonyl]phenyl}acetamide
CID 1484365
2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2114711
3-{[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)glycyl]amino}-4-methylbenzoic acid
CID 3235689
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
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 3236935
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

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide (CID 20858863) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MNZOMORFVFEFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-15-5-7-18(8-6-15)13-23-21(26)14-25(19-9-11-20(29-4)12-10-19)31(27,28)22-16(2)24-30-17(22)3/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 3.12, 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]-4-methoxyanilino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 20858863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).