4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C17H21N3O5S — CID 55980866

IUPAC4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(S(=O)(=O)NCC(C)O)cc1
InChIInChI=1S/C17H21N3O5S/c1-12(21)10-20-26(23,24)15-7-5-13(6-8-15)16(22)19-11-14-4-3-9-18-17(14)25-2/h3-9,12,20-21H,10-11H2,1-2H3,(H,19,22)
InChIKeyXRHVHDYVFISLJK-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.68
Rot. Bonds8

About 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 55980866) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID55980866
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(S(=O)(=O)NCC(C)O)cc1
InChIInChI=1S/C17H21N3O5S/c1-12(21)10-20-26(23,24)15-7-5-13(6-8-15)16(22)19-11-14-4-3-9-18-17(14)25-2/h3-9,12,20-21H,10-11H2,1-2H3,(H,19,22)
InChIKeyXRHVHDYVFISLJK-UHFFFAOYSA-N
XLogP0.68
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38534496
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
5-(ethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbenzamide
CID 37485846
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37485901
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
3-(diethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533714
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 55980866) is 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ncccc1CNC(=O)c1ccc(S(=O)(=O)NCC(C)O)cc1.
What is the InChIKey of 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is XRHVHDYVFISLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-12(21)10-20-26(23,24)15-7-5-13(6-8-15)16(22)19-11-14-4-3-9-18-17(14)25-2/h3-9,12,20-21H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55980866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).