2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

C17H21N3O5S — CID 7223587

IUPAC2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H21N3O5S/c1-12-10-16(19-25-12)18-17(21)14-11-13(6-7-15(14)24-2)26(22,23)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyKGLMHHPTDDPHAV-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.42
Rot. Bonds5

About 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 7223587) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID7223587
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H21N3O5S/c1-12-10-16(19-25-12)18-17(21)14-11-13(6-7-15(14)24-2)26(22,23)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyKGLMHHPTDDPHAV-UHFFFAOYSA-N
XLogP2.42
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 652253
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2-methoxy-N-(5-methyl-3-isoxazolyl)-5-(4-morpholinylsulfonyl)benzamide
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(2E)-3-(2-methoxyphenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}prop-2-enamide
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2-[(5-Methyl-3-isoxazolyl)amino]-2-oxoethyl 3-[[(4-methoxyphenyl)amino]sulfonyl]benzoate
CID 2098151
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CID 2116681
4-methoxy-N-(5-methylisoxazol-3-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide
CID 5165192
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide
CID 118733949
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2344220
N-3-isoxazolyl-2-methoxy-5-(4-morpholinylsulfonyl)benzamide
CID 1289870
N-(5-methyl-3-isoxazolyl)-3-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 7223587) is 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KGLMHHPTDDPHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-12-10-16(19-25-12)18-17(21)14-11-13(6-7-15(14)24-2)26(22,23)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 379.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7223587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).