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

C21H22ClN3O6S — CID 3240730

IUPACN-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H22ClN3O6S/c1-13-21(14(2)31-24-13)32(27,28)25(16-6-8-17(29-3)9-7-16)12-20(26)23-18-11-15(22)5-10-19(18)30-4/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyZLJZMAJCNNXMFT-UHFFFAOYSA-N
MW479.94 g/mol
LogP3.80
Rot. Bonds8

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

N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (PubChem CID 3240730) has the molecular formula C21H22ClN3O6S and a molecular weight of 479.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
PubChem CID3240730
Molecular FormulaC21H22ClN3O6S
Molecular Weight479.94 g/mol
Exact Mass479.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H22ClN3O6S/c1-13-21(14(2)31-24-13)32(27,28)25(16-6-8-17(29-3)9-7-16)12-20(26)23-18-11-15(22)5-10-19(18)30-4/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyZLJZMAJCNNXMFT-UHFFFAOYSA-N
XLogP3.80
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CID 3240730) is N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The InChIKey is ZLJZMAJCNNXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O6S/c1-13-21(14(2)31-24-13)32(27,28)25(16-6-8-17(29-3)9-7-16)12-20(26)23-18-11-15(22)5-10-19(18)30-4/h5-11H,12H2,1-4H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide has a molecular weight of 479.94 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is sourced from PubChem (CID 3240730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).