N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide

C22H23N5O4S — CID 3074711

IUPACN-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN2CC=C(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1
InChIInChI=1S/C22H23N5O4S/c1-15-3-5-17(6-4-15)21-24-25-22(31-21)18-11-13-27(14-12-18)26-32(29,30)20-9-7-19(8-10-20)23-16(2)28/h3-11,26H,12-14H2,1-2H3,(H,23,28)
InChIKeyJLLQRRFWZJQETR-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.99
Rot. Bonds6

About N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide (PubChem CID 3074711) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
PubChem CID3074711
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN2CC=C(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1
InChIInChI=1S/C22H23N5O4S/c1-15-3-5-17(6-4-15)21-24-25-22(31-21)18-11-13-27(14-12-18)26-32(29,30)20-9-7-19(8-10-20)23-16(2)28/h3-11,26H,12-14H2,1-2H3,(H,23,28)
InChIKeyJLLQRRFWZJQETR-UHFFFAOYSA-N
XLogP2.99
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide (CID 3074711) is N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NN2CC=C(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is JLLQRRFWZJQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-15-3-5-17(6-4-15)21-24-25-22(31-21)18-11-13-27(14-12-18)26-32(29,30)20-9-7-19(8-10-20)23-16(2)28/h3-11,26H,12-14H2,1-2H3,(H,23,28).
What are the key properties of N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 453.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3074711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).