3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C25H28N4O5S — CID 43057948

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccnc3N3CCOCC3)c2)cc1
InChIInChI=1S/C25H28N4O5S/c1-28(21-8-10-22(33-2)11-9-21)35(31,32)23-7-3-5-19(17-23)25(30)27-18-20-6-4-12-26-24(20)29-13-15-34-16-14-29/h3-12,17H,13-16,18H2,1-2H3,(H,27,30)
InChIKeyBRHAWNZQNRTFCG-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.68
Rot. Bonds8

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 43057948) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID43057948
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccnc3N3CCOCC3)c2)cc1
InChIInChI=1S/C25H28N4O5S/c1-28(21-8-10-22(33-2)11-9-21)35(31,32)23-7-3-5-19(17-23)25(30)27-18-20-6-4-12-26-24(20)29-13-15-34-16-14-29/h3-12,17H,13-16,18H2,1-2H3,(H,27,30)
InChIKeyBRHAWNZQNRTFCG-UHFFFAOYSA-N
XLogP2.68
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 55774654
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 31093187
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 43057948) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccnc3N3CCOCC3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is BRHAWNZQNRTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-28(21-8-10-22(33-2)11-9-21)35(31,32)23-7-3-5-19(17-23)25(30)27-18-20-6-4-12-26-24(20)29-13-15-34-16-14-29/h3-12,17H,13-16,18H2,1-2H3,(H,27,30).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 496.59 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 43057948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).