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

C23H25ClN4O5S — CID 24684504

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H25ClN4O5S/c1-2-10-27(16-21-25-26-22(33-21)19-8-3-4-9-20(19)24)23(29)17-6-5-7-18(15-17)34(30,31)28-11-13-32-14-12-28/h3-9,15H,2,10-14,16H2,1H3
InChIKeyBDKPQLZMYDFULD-UHFFFAOYSA-N
MW505.00 g/mol
LogP3.46
Rot. Bonds8

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide (PubChem CID 24684504) has the molecular formula C23H25ClN4O5S and a molecular weight of 505.00 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide
PubChem CID24684504
Molecular FormulaC23H25ClN4O5S
Molecular Weight505.00 g/mol
Exact Mass504.12
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H25ClN4O5S/c1-2-10-27(16-21-25-26-22(33-21)19-8-3-4-9-20(19)24)23(29)17-6-5-7-18(15-17)34(30,31)28-11-13-32-14-12-28/h3-9,15H,2,10-14,16H2,1H3
InChIKeyBDKPQLZMYDFULD-UHFFFAOYSA-N
XLogP3.46
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.00
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824619
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 16557594
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholinosulfonyl-benzamide
CID 16557598
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholino)sulfonyl-benzamide
CID 24979434
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981697
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 24684525
2-[[4-(Benzenesulfonyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824593
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 16557633
Ethyl 4-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761542
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24819938
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 24979293
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 24982619

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide (CID 24684504) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The InChIKey is BDKPQLZMYDFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5S/c1-2-10-27(16-21-25-26-22(33-21)19-8-3-4-9-20(19)24)23(29)17-6-5-7-18(15-17)34(30,31)28-11-13-32-14-12-28/h3-9,15H,2,10-14,16H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide has a molecular weight of 505.00 g/mol, XLogP of 3.46, 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]-3-morpholin-4-ylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 24684504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).