3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide

C16H20N4O4S — CID 77081690

IUPAC3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1
InChIInChI=1S/C16H20N4O4S/c1-12-10-17-6-7-20(12)25(22,23)15-4-2-3-13(9-15)16(21)18-11-14-5-8-24-19-14/h2-5,8-9,12,17H,6-7,10-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyXXWGNLPNQXBYEB-GFCCVEGCSA-N
MW364.43 g/mol
LogP0.59
Rot. Bonds5

About 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide

3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 77081690) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID77081690
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1
InChIInChI=1S/C16H20N4O4S/c1-12-10-17-6-7-20(12)25(22,23)15-4-2-3-13(9-15)16(21)18-11-14-5-8-24-19-14/h2-5,8-9,12,17H,6-7,10-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyXXWGNLPNQXBYEB-GFCCVEGCSA-N
XLogP0.59
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 77081690) is 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide is C[C@@H]1CNCCN1S(=O)(=O)c1cccc(C(=O)NCc2ccon2)c1.
What is the InChIKey of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is XXWGNLPNQXBYEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-12-10-17-6-7-20(12)25(22,23)15-4-2-3-13(9-15)16(21)18-11-14-5-8-24-19-14/h2-5,8-9,12,17H,6-7,10-11H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 77081690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).