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

C24H25ClN4O5S — CID 16557633

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C24H25ClN4O5S/c1-16-6-9-18(35(31,32)28-10-12-33-13-11-28)14-20(16)24(30)29(17-7-8-17)15-22-26-27-23(34-22)19-4-2-3-5-21(19)25/h2-6,9,14,17H,7-8,10-13,15H2,1H3
InChIKeyLXSFUIJBYUSIHQ-UHFFFAOYSA-N
MW517.01 g/mol
LogP3.52
Rot. Bonds7

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 16557633) has the molecular formula C24H25ClN4O5S and a molecular weight of 517.01 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID16557633
Molecular FormulaC24H25ClN4O5S
Molecular Weight517.01 g/mol
Exact Mass516.12
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C24H25ClN4O5S/c1-16-6-9-18(35(31,32)28-10-12-33-13-11-28)14-20(16)24(30)29(17-7-8-17)15-22-26-27-23(34-22)19-4-2-3-5-21(19)25/h2-6,9,14,17H,7-8,10-13,15H2,1H3
InChIKeyLXSFUIJBYUSIHQ-UHFFFAOYSA-N
XLogP3.52
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.01
LogP ≤ 53.52
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-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 16557633) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LXSFUIJBYUSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5S/c1-16-6-9-18(35(31,32)28-10-12-33-13-11-28)14-20(16)24(30)29(17-7-8-17)15-22-26-27-23(34-22)19-4-2-3-5-21(19)25/h2-6,9,14,17H,7-8,10-13,15H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 517.01 g/mol, XLogP of 3.52, 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-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16557633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).