3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide

C22H30N4O4S — CID 56536813

IUPAC3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)c1
InChIInChI=1S/C22H30N4O4S/c1-2-24-31(28,29)21-6-3-5-20(17-21)22(27)26(18-19-7-9-23-10-8-19)12-4-11-25-13-15-30-16-14-25/h3,5-10,17,24H,2,4,11-16,18H2,1H3
InChIKeyCYLKDEUMMHGGAV-UHFFFAOYSA-N
MW446.57 g/mol
LogP1.74
Rot. Bonds10

About 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide

3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 56536813) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID56536813
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)c1
InChIInChI=1S/C22H30N4O4S/c1-2-24-31(28,29)21-6-3-5-20(17-21)22(27)26(18-19-7-9-23-10-8-19)12-4-11-25-13-15-30-16-14-25/h3,5-10,17,24H,2,4,11-16,18H2,1H3
InChIKeyCYLKDEUMMHGGAV-UHFFFAOYSA-N
XLogP1.74
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
1-acetyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 56536785
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
CID 56536758
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 56536701
4-methyl-N-(3-morpholin-4-ylpropyl)-2-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56536420
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 109063961
5-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 56564376
3-[2-(aziridin-1-yl)ethylsulfamoyl]-N-(naphthalen-2-ylmethyl)-N-propylbenzamide
CID 170563676
2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
3-(4-ethoxy-3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 86974616

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide (CID 56536813) is 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is CYLKDEUMMHGGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-2-24-31(28,29)21-6-3-5-20(17-21)22(27)26(18-19-7-9-23-10-8-19)12-4-11-25-13-15-30-16-14-25/h3,5-10,17,24H,2,4,11-16,18H2,1H3.
What are the key properties of 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide?
3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 446.57 g/mol, XLogP of 1.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 56536813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).