2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C26H31N3O5S — CID 41080778

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C26H31N3O5S/c1-18-5-4-14-29(16-18)35(31,32)24-12-8-22(9-13-24)27-26(30)15-21-6-10-23(11-7-21)33-17-25-19(2)28-34-20(25)3/h6-13,18H,4-5,14-17H2,1-3H3,(H,27,30)/t18-/m1/s1
InChIKeyCMVYTZUQNORLMP-GOSISDBHSA-N
MW497.62 g/mol
LogP4.47
Rot. Bonds8

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 41080778) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID41080778
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C26H31N3O5S/c1-18-5-4-14-29(16-18)35(31,32)24-12-8-22(9-13-24)27-26(30)15-21-6-10-23(11-7-21)33-17-25-19(2)28-34-20(25)3/h6-13,18H,4-5,14-17H2,1-3H3,(H,27,30)/t18-/m1/s1
InChIKeyCMVYTZUQNORLMP-GOSISDBHSA-N
XLogP4.47
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9360666
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260314
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17192773
2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 8700396
N-(3,5-dimethoxyphenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 7960814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 41080778) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is CMVYTZUQNORLMP-GOSISDBHSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-18-5-4-14-29(16-18)35(31,32)24-12-8-22(9-13-24)27-26(30)15-21-6-10-23(11-7-21)33-17-25-19(2)28-34-20(25)3/h6-13,18H,4-5,14-17H2,1-3H3,(H,27,30)/t18-/m1/s1.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 497.62 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 41080778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).