N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

C26H31N5O5S — CID 58393246

IUPACN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCN(c4ccncc4)CC3)co2)C2CC2)c(C)c1
InChIInChI=1S/C26H31N5O5S/c1-18-14-22(35-3)15-19(2)25(18)37(33,34)31(21-4-5-21)16-24-28-23(17-36-24)26(32)30-12-10-29(11-13-30)20-6-8-27-9-7-20/h6-9,14-15,17,21H,4-5,10-13,16H2,1-3H3
InChIKeyPXFHSEPNGFSHFS-UHFFFAOYSA-N
MW525.63 g/mol
LogP3.01
Rot. Bonds8

About N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (PubChem CID 58393246) has the molecular formula C26H31N5O5S and a molecular weight of 525.63 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
PubChem CID58393246
Molecular FormulaC26H31N5O5S
Molecular Weight525.63 g/mol
Exact Mass525.20
IUPAC NameN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCN(c4ccncc4)CC3)co2)C2CC2)c(C)c1
InChIInChI=1S/C26H31N5O5S/c1-18-14-22(35-3)15-19(2)25(18)37(33,34)31(21-4-5-21)16-24-28-23(17-36-24)26(32)30-12-10-29(11-13-30)20-6-8-27-9-7-20/h6-9,14-15,17,21H,4-5,10-13,16H2,1-3H3
InChIKeyPXFHSEPNGFSHFS-UHFFFAOYSA-N
XLogP3.01
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide 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

tert-butyl 4-[2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
CID 58393186
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide
CID 58393405
N-cyclopropyl-N-[[4-[4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carbonyl]-1,3-oxazol-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67330154
N-cyclopropyl-N-[[4-[4-[(6-fluoro-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 46175992
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67329402
tert-butyl N-[1-[2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58393273
[1-[2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-1,3-oxazole-4-carbonyl]-4-[(E)-2-pyridin-3-ylethenyl]piperidin-4-yl] 2,2,2-trifluoroacetate
CID 67330170
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 46175985
tert-butyl 3-[2-[[2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-1,3-oxazole-4-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 67328832
2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 46175908
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide
CID 58393155
2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 87089605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (CID 58393246) is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCN(c4ccncc4)CC3)co2)C2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is PXFHSEPNGFSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O5S/c1-18-14-22(35-3)15-19(2)25(18)37(33,34)31(21-4-5-21)16-24-28-23(17-36-24)26(32)30-12-10-29(11-13-30)20-6-8-27-9-7-20/h6-9,14-15,17,21H,4-5,10-13,16H2,1-3H3.
What are the key properties of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 525.63 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 58393246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).