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

C24H27ClN4O5S — CID 24684525

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H27ClN4O5S/c1-3-10-28(16-22-26-27-23(34-22)19-6-4-5-7-20(19)25)24(30)18-9-8-17(2)21(15-18)35(31,32)29-11-13-33-14-12-29/h4-9,15H,3,10-14,16H2,1-2H3
InChIKeyCQEAPBOGLJUISQ-UHFFFAOYSA-N
MW519.02 g/mol
LogP3.77
Rot. Bonds8

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide (PubChem CID 24684525) has the molecular formula C24H27ClN4O5S and a molecular weight of 519.02 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
PubChem CID24684525
Molecular FormulaC24H27ClN4O5S
Molecular Weight519.02 g/mol
Exact Mass518.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H27ClN4O5S/c1-3-10-28(16-22-26-27-23(34-22)19-6-4-5-7-20(19)25)24(30)18-9-8-17(2)21(15-18)35(31,32)29-11-13-33-14-12-29/h4-9,15H,3,10-14,16H2,1-2H3
InChIKeyCQEAPBOGLJUISQ-UHFFFAOYSA-N
XLogP3.77
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.02
LogP ≤ 53.77
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]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide (CID 24684525) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The InChIKey is CQEAPBOGLJUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5S/c1-3-10-28(16-22-26-27-23(34-22)19-6-4-5-7-20(19)25)24(30)18-9-8-17(2)21(15-18)35(31,32)29-11-13-33-14-12-29/h4-9,15H,3,10-14,16H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide has a molecular weight of 519.02 g/mol, XLogP of 3.77, 8 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]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 24684525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).