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

C22H22ClN3O6S — CID 169197426

IUPACN-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESC=COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C22H22ClN3O6S/c1-5-31-20-11-6-16(23)12-19(20)24-21(27)13-26(17-7-9-18(30-4)10-8-17)33(28,29)22-14(2)25-32-15(22)3/h5-12H,1,13H2,2-4H3,(H,24,27)
InChIKeyNTNROFZGEPSVDV-UHFFFAOYSA-N
MW491.95 g/mol
LogP4.31
Rot. Bonds9

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

N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (PubChem CID 169197426) has the molecular formula C22H22ClN3O6S and a molecular weight of 491.95 g/mol. Its IUPAC name is N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
PubChem CID169197426
Molecular FormulaC22H22ClN3O6S
Molecular Weight491.95 g/mol
Exact Mass491.09
IUPAC NameN-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESC=COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C22H22ClN3O6S/c1-5-31-20-11-6-16(23)12-19(20)24-21(27)13-26(17-7-9-18(30-4)10-8-17)33(28,29)22-14(2)25-32-15(22)3/h5-12H,1,13H2,2-4H3,(H,24,27)
InChIKeyNTNROFZGEPSVDV-UHFFFAOYSA-N
XLogP4.31
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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N-(5-chloro-2,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
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N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
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4-[[[2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetyl]amino]methyl]benzoic acid
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N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
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2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1103809
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
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N-butan-2-yl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The IUPAC name of N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CID 169197426) is N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The canonical SMILES for N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is C=COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The InChIKey is NTNROFZGEPSVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O6S/c1-5-31-20-11-6-16(23)12-19(20)24-21(27)13-26(17-7-9-18(30-4)10-8-17)33(28,29)22-14(2)25-32-15(22)3/h5-12H,1,13H2,2-4H3,(H,24,27).
What are the key properties of N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide has a molecular weight of 491.95 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethenoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is sourced from PubChem (CID 169197426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).