3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide

C23H29N3O4S — CID 40847436

IUPAC3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C23H29N3O4S/c27-23(25-21-11-2-3-12-22(21)26-13-4-1-5-14-26)18-8-6-10-20(16-18)31(28,29)24-17-19-9-7-15-30-19/h2-3,6,8,10-12,16,19,24H,1,4-5,7,9,13-15,17H2,(H,25,27)/t19-/m1/s1
InChIKeyGRSJKVKQLBBKCJ-LJQANCHMSA-N
MW443.57 g/mol
LogP3.39
Rot. Bonds7

About 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide

3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 40847436) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID40847436
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C23H29N3O4S/c27-23(25-21-11-2-3-12-22(21)26-13-4-1-5-14-26)18-8-6-10-20(16-18)31(28,29)24-17-19-9-7-15-30-19/h2-3,6,8,10-12,16,19,24H,1,4-5,7,9,13-15,17H2,(H,25,27)/t19-/m1/s1
InChIKeyGRSJKVKQLBBKCJ-LJQANCHMSA-N
XLogP3.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30497083
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55541273
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43005842

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide (CID 40847436) is 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is GRSJKVKQLBBKCJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(25-21-11-2-3-12-22(21)26-13-4-1-5-14-26)18-8-6-10-20(16-18)31(28,29)24-17-19-9-7-15-30-19/h2-3,6,8,10-12,16,19,24H,1,4-5,7,9,13-15,17H2,(H,25,27)/t19-/m1/s1.
What are the key properties of 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 40847436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).