2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide

C24H34N4O5S — CID 46175908

IUPAC2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)NCCC3CCCNC3)co2)C2CC2)c(C)c1
InChIInChI=1S/C24H34N4O5S/c1-16-11-20(32-3)12-17(2)23(16)34(30,31)28(19-6-7-19)14-22-27-21(15-33-22)24(29)26-10-8-18-5-4-9-25-13-18/h11-12,15,18-19,25H,4-10,13-14H2,1-3H3,(H,26,29)
InChIKeyVCWWZPRYOUYIKP-UHFFFAOYSA-N
MW490.63 g/mol
LogP2.77
Rot. Bonds10

About 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide

2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 46175908) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID46175908
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)NCCC3CCCNC3)co2)C2CC2)c(C)c1
InChIInChI=1S/C24H34N4O5S/c1-16-11-20(32-3)12-17(2)23(16)34(30,31)28(19-6-7-19)14-22-27-21(15-33-22)24(29)26-10-8-18-5-4-9-25-13-18/h11-12,15,18-19,25H,4-10,13-14H2,1-3H3,(H,26,29)
InChIKeyVCWWZPRYOUYIKP-UHFFFAOYSA-N
XLogP2.77
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
CID 58393246
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-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
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
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
CID 58393291
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
2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 46176159
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide (CID 46175908) is 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide is COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)NCCC3CCCNC3)co2)C2CC2)c(C)c1.
What is the InChIKey of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VCWWZPRYOUYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-16-11-20(32-3)12-17(2)23(16)34(30,31)28(19-6-7-19)14-22-27-21(15-33-22)24(29)26-10-8-18-5-4-9-25-13-18/h11-12,15,18-19,25H,4-10,13-14H2,1-3H3,(H,26,29).
What are the key properties of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide?
2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46175908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).