4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C18H21N3O4S — CID 9117546

IUPAC4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C18H21N3O4S/c22-18(20-12-14-7-9-19-10-8-14)15-3-5-17(6-4-15)26(23,24)21-13-16-2-1-11-25-16/h3-10,16,21H,1-2,11-13H2,(H,20,22)/t16-/m1/s1
InChIKeyAZJBGQUVFVEPGW-MRXNPFEDSA-N
MW375.45 g/mol
LogP1.47
Rot. Bonds7

About 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 9117546) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID9117546
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C18H21N3O4S/c22-18(20-12-14-7-9-19-10-8-14)15-3-5-17(6-4-15)26(23,24)21-13-16-2-1-11-25-16/h3-10,16,21H,1-2,11-13H2,(H,20,22)/t16-/m1/s1
InChIKeyAZJBGQUVFVEPGW-MRXNPFEDSA-N
XLogP1.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(oxolan-2-ylmethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide
CID 644660
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2946621
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
CID 47058818
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 9117546) is 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is AZJBGQUVFVEPGW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(20-12-14-7-9-19-10-8-14)15-3-5-17(6-4-15)26(23,24)21-13-16-2-1-11-25-16/h3-10,16,21H,1-2,11-13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 9117546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).