N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C19H20N6O5S — CID 4858188

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N6O5S/c26-19(13-30-17-3-1-2-16(12-17)25-14-20-22-23-25)21-15-4-6-18(7-5-15)31(27,28)24-8-10-29-11-9-24/h1-7,12,14H,8-11,13H2,(H,21,26)
InChIKeyKWFAFBFOGJHGEL-UHFFFAOYSA-N
MW444.47 g/mol
LogP0.70
Rot. Bonds7

About N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 4858188) has the molecular formula C19H20N6O5S and a molecular weight of 444.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID4858188
Molecular FormulaC19H20N6O5S
Molecular Weight444.47 g/mol
Exact Mass444.12
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N6O5S/c26-19(13-30-17-3-1-2-16(12-17)25-14-20-22-23-25)21-15-4-6-18(7-5-15)31(27,28)24-8-10-29-11-9-24/h1-7,12,14H,8-11,13H2,(H,21,26)
InChIKeyKWFAFBFOGJHGEL-UHFFFAOYSA-N
XLogP0.70
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 11223596
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide
CID 55680625
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 4858188) is N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is KWFAFBFOGJHGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5S/c26-19(13-30-17-3-1-2-16(12-17)25-14-20-22-23-25)21-15-4-6-18(7-5-15)31(27,28)24-8-10-29-11-9-24/h1-7,12,14H,8-11,13H2,(H,21,26).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 444.47 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 4858188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).