4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide

C23H23N3O4S — CID 46475804

IUPAC4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H23N3O4S/c27-23(19-6-10-21(11-7-19)31(28,29)26-20-8-9-20)25-15-18-12-13-24-22(14-18)30-16-17-4-2-1-3-5-17/h1-7,10-14,20,26H,8-9,15-16H2,(H,25,27)
InChIKeyZHYWFIGBHJOOAI-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.03
Rot. Bonds9

About 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide

4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide (PubChem CID 46475804) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
PubChem CID46475804
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H23N3O4S/c27-23(19-6-10-21(11-7-19)31(28,29)26-20-8-9-20)25-15-18-12-13-24-22(14-18)30-16-17-4-2-1-3-5-17/h1-7,10-14,20,26H,8-9,15-16H2,(H,25,27)
InChIKeyZHYWFIGBHJOOAI-UHFFFAOYSA-N
XLogP3.03
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide (CID 46475804) is 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is ZHYWFIGBHJOOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c27-23(19-6-10-21(11-7-19)31(28,29)26-20-8-9-20)25-15-18-12-13-24-22(14-18)30-16-17-4-2-1-3-5-17/h1-7,10-14,20,26H,8-9,15-16H2,(H,25,27).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 46475804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).