N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C25H27ClN4O5S — CID 24979434

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)CC(C)O1
InChIInChI=1S/C25H27ClN4O5S/c1-16-13-29(14-17(2)34-16)36(32,33)20-7-5-6-18(12-20)25(31)30(19-10-11-19)15-23-27-28-24(35-23)21-8-3-4-9-22(21)26/h3-9,12,16-17,19H,10-11,13-15H2,1-2H3
InChIKeyVGAZGRVPBABOQQ-UHFFFAOYSA-N
MW531.03 g/mol
LogP3.99
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 24979434) has the molecular formula C25H27ClN4O5S and a molecular weight of 531.03 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID24979434
Molecular FormulaC25H27ClN4O5S
Molecular Weight531.03 g/mol
Exact Mass530.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)CC(C)O1
InChIInChI=1S/C25H27ClN4O5S/c1-16-13-29(14-17(2)34-16)36(32,33)20-7-5-6-18(12-20)25(31)30(19-10-11-19)15-23-27-28-24(35-23)21-8-3-4-9-22(21)26/h3-9,12,16-17,19H,10-11,13-15H2,1-2H3
InChIKeyVGAZGRVPBABOQQ-UHFFFAOYSA-N
XLogP3.99
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.03
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 16257913
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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981697
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylphenyl)sulfonylpropanamide
CID 16293748
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 24684525
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 16557633
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
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 24684504
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 53624152

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 24979434) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)CC(C)O1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is VGAZGRVPBABOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O5S/c1-16-13-29(14-17(2)34-16)36(32,33)20-7-5-6-18(12-20)25(31)30(19-10-11-19)15-23-27-28-24(35-23)21-8-3-4-9-22(21)26/h3-9,12,16-17,19H,10-11,13-15H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 531.03 g/mol, XLogP of 3.99, 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-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 24979434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).