N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide

C21H22N4O5S — CID 43973183

IUPACN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1
InChIInChI=1S/C21H22N4O5S/c1-15-2-4-16(5-3-15)14-19-23-24-21(30-19)22-20(26)17-6-8-18(9-7-17)31(27,28)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,22,24,26)
InChIKeyVCEIKFHILNASPI-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.24
Rot. Bonds6

About N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 43973183) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID43973183
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1
InChIInChI=1S/C21H22N4O5S/c1-15-2-4-16(5-3-15)14-19-23-24-21(30-19)22-20(26)17-6-8-18(9-7-17)31(27,28)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,22,24,26)
InChIKeyVCEIKFHILNASPI-UHFFFAOYSA-N
XLogP2.24
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973184
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973728
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 43973222
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42110004
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 43973998
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973737
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975096
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974579
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975113
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 41179060
methyl 4-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973208

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 43973183) is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is Cc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VCEIKFHILNASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-15-2-4-16(5-3-15)14-19-23-24-21(30-19)22-20(26)17-6-8-18(9-7-17)31(27,28)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,22,24,26).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 442.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43973183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).