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

C23H23ClN4O5S — CID 16557598

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C23H23ClN4O5S/c24-20-7-2-1-6-19(20)22-26-25-21(33-22)15-28(17-8-9-17)23(29)16-4-3-5-18(14-16)34(30,31)27-10-12-32-13-11-27/h1-7,14,17H,8-13,15H2
InChIKeyRQFIMPVJPIHEBO-UHFFFAOYSA-N
MW502.98 g/mol
LogP3.22
Rot. Bonds7

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 16557598) has the molecular formula C23H23ClN4O5S and a molecular weight of 502.98 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID16557598
Molecular FormulaC23H23ClN4O5S
Molecular Weight502.98 g/mol
Exact Mass502.11
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C23H23ClN4O5S/c24-20-7-2-1-6-19(20)22-26-25-21(33-22)15-28(17-8-9-17)23(29)16-4-3-5-18(14-16)34(30,31)27-10-12-32-13-11-27/h1-7,14,17H,8-13,15H2
InChIKeyRQFIMPVJPIHEBO-UHFFFAOYSA-N
XLogP3.22
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.98
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (CID 16557598) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RQFIMPVJPIHEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O5S/c24-20-7-2-1-6-19(20)22-26-25-21(33-22)15-28(17-8-9-17)23(29)16-4-3-5-18(14-16)34(30,31)27-10-12-32-13-11-27/h1-7,14,17H,8-13,15H2.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 502.98 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16557598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).