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

C24H27ClN4O6S — CID 24683807

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H27ClN4O6S/c1-3-10-28(16-22-26-27-23(35-22)18-6-4-5-7-19(18)25)24(30)17-8-9-20(33-2)21(15-17)36(31,32)29-11-13-34-14-12-29/h4-9,15H,3,10-14,16H2,1-2H3
InChIKeyCFGUKWIIWMCKBW-UHFFFAOYSA-N
MW535.02 g/mol
LogP3.47
Rot. Bonds9

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide (PubChem CID 24683807) has the molecular formula C24H27ClN4O6S and a molecular weight of 535.02 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide
PubChem CID24683807
Molecular FormulaC24H27ClN4O6S
Molecular Weight535.02 g/mol
Exact Mass534.13
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H27ClN4O6S/c1-3-10-28(16-22-26-27-23(35-22)18-6-4-5-7-19(18)25)24(30)17-8-9-20(33-2)21(15-17)36(31,32)29-11-13-34-14-12-29/h4-9,15H,3,10-14,16H2,1-2H3
InChIKeyCFGUKWIIWMCKBW-UHFFFAOYSA-N
XLogP3.47
TPSA115.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylsulfonyl-N-propylbenzamide
CID 55361063
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(dimethylsulfamoyl)-N-propylbenzamide
CID 55361291
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-nitro-N-propylbenzamide
CID 24683808
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 16557620
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(phenoxymethyl)-N-propylbenzamide
CID 24684596
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
CID 55670903
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide
CID 55361336
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 17433061
N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55592249
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
CID 55555696
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide (CID 24683807) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The InChIKey is CFGUKWIIWMCKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O6S/c1-3-10-28(16-22-26-27-23(35-22)18-6-4-5-7-19(18)25)24(30)17-8-9-20(33-2)21(15-17)36(31,32)29-11-13-34-14-12-29/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-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide has a molecular weight of 535.02 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 24683807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).