N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C21H22N4O6S — CID 4969664

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C21H22N4O6S/c1-15-2-7-18(32(27,28)25-8-10-29-11-9-25)12-19(15)23-20(26)13-30-17-5-3-16(4-6-17)21-24-22-14-31-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyFVMYFRGDEBTLTP-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.08
Rot. Bonds7

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 4969664) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID4969664
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C21H22N4O6S/c1-15-2-7-18(32(27,28)25-8-10-29-11-9-25)12-19(15)23-20(26)13-30-17-5-3-16(4-6-17)21-24-22-14-31-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyFVMYFRGDEBTLTP-UHFFFAOYSA-N
XLogP2.08
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 4969664) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is FVMYFRGDEBTLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-15-2-7-18(32(27,28)25-8-10-29-11-9-25)12-19(15)23-20(26)13-30-17-5-3-16(4-6-17)21-24-22-14-31-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 458.50 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 4969664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).