2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

C19H25N3O4S — CID 47729092

IUPAC2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)no1
InChIInChI=1S/C19H25N3O4S/c1-13-7-8-17(27(24,25)22-9-5-4-6-14(22)2)11-18(13)19(23)20-12-16-10-15(3)26-21-16/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,20,23)
InChIKeyQRFKKDUNLPCLOF-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.78
Rot. Bonds5

About 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 47729092) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID47729092
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)no1
InChIInChI=1S/C19H25N3O4S/c1-13-7-8-17(27(24,25)22-9-5-4-6-14(22)2)11-18(13)19(23)20-12-16-10-15(3)26-21-16/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,20,23)
InChIKeyQRFKKDUNLPCLOF-UHFFFAOYSA-N
XLogP2.78
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-[3-[[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863012
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
(5-methyl-1,2-oxazol-3-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 9061168
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463183
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
methyl (2S)-3-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 55942554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 47729092) is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)no1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is QRFKKDUNLPCLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-7-8-17(27(24,25)22-9-5-4-6-14(22)2)11-18(13)19(23)20-12-16-10-15(3)26-21-16/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,20,23).
What are the key properties of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 391.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 47729092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).