3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide

C20H32N4O4S — CID 56526295

IUPAC3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCN2CCC(CCN3CCOCC3)CC2)c1
InChIInChI=1S/C20H32N4O4S/c21-29(26,27)19-3-1-2-18(16-19)22-20(25)7-11-23-8-4-17(5-9-23)6-10-24-12-14-28-15-13-24/h1-3,16-17H,4-15H2,(H,22,25)(H2,21,26,27)
InChIKeyWRNCFWPGPYLWPG-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.10
Rot. Bonds8

About 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide

3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 56526295) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID56526295
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCN2CCC(CCN3CCOCC3)CC2)c1
InChIInChI=1S/C20H32N4O4S/c21-29(26,27)19-3-1-2-18(16-19)22-20(25)7-11-23-8-4-17(5-9-23)6-10-24-12-14-28-15-13-24/h1-3,16-17H,4-15H2,(H,22,25)(H2,21,26,27)
InChIKeyWRNCFWPGPYLWPG-UHFFFAOYSA-N
XLogP1.10
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
CID 56526318
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 55482906
N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
CID 136529358
3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 124728461
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
CID 56526216
N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500788
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide (CID 56526295) is 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cccc(NC(=O)CCN2CCC(CCN3CCOCC3)CC2)c1.
What is the InChIKey of 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is WRNCFWPGPYLWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c21-29(26,27)19-3-1-2-18(16-19)22-20(25)7-11-23-8-4-17(5-9-23)6-10-24-12-14-28-15-13-24/h1-3,16-17H,4-15H2,(H,22,25)(H2,21,26,27).
What are the key properties of 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 424.57 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 56526295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).