N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline

C25H31N5O4S — CID 55411303

IUPACN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline
SMILESCc1ccccc1-c1noc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)n1
InChIInChI=1S/C25H31N5O4S/c1-19-7-3-4-8-21(19)25-27-24(34-28-25)18-26-22-17-20(35(31,32)30-11-5-2-6-12-30)9-10-23(22)29-13-15-33-16-14-29/h3-4,7-10,17,26H,2,5-6,11-16,18H2,1H3
InChIKeyBHNBVJZOQGDHCR-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.67
Rot. Bonds7

About N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline (PubChem CID 55411303) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline
PubChem CID55411303
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline
SMILESCc1ccccc1-c1noc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)n1
InChIInChI=1S/C25H31N5O4S/c1-19-7-3-4-8-21(19)25-27-24(34-28-25)18-26-22-17-20(35(31,32)30-11-5-2-6-12-30)9-10-23(22)29-13-15-33-16-14-29/h3-4,7-10,17,26H,2,5-6,11-16,18H2,1H3
InChIKeyBHNBVJZOQGDHCR-UHFFFAOYSA-N
XLogP3.67
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
CID 55680981
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929683
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
3-(2-methylphenyl)-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 31321073
5-(azepan-1-ylsulfonyl)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxyaniline
CID 60535316
3-(azepan-1-ylsulfonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 31984010
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
CID 43052587
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682908
N-(2,5-difluorophenyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346752
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
The IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline (CID 55411303) is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
The canonical SMILES for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline is Cc1ccccc1-c1noc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)n1.
What is the InChIKey of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
The InChIKey is BHNBVJZOQGDHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-19-7-3-4-8-21(19)25-27-24(34-28-25)18-26-22-17-20(35(31,32)30-11-5-2-6-12-30)9-10-23(22)29-13-15-33-16-14-29/h3-4,7-10,17,26H,2,5-6,11-16,18H2,1H3.
What are the key properties of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline has a molecular weight of 497.62 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 55411303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).