2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide

C21H25N3O5S — CID 31287521

IUPAC2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25N3O5S/c1-2-10-22-21(26)18-8-3-4-9-19(18)23-20(25)16-6-5-7-17(15-16)30(27,28)24-11-13-29-14-12-24/h3-9,15H,2,10-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyFVHZJSREZHPITM-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.10
Rot. Bonds7

About 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide

2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide (PubChem CID 31287521) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
PubChem CID31287521
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25N3O5S/c1-2-10-22-21(26)18-8-3-4-9-19(18)23-20(25)16-6-5-7-17(15-16)30(27,28)24-11-13-29-14-12-24/h3-9,15H,2,10-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyFVHZJSREZHPITM-UHFFFAOYSA-N
XLogP2.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-ethyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 3241862
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 110425345
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide?
The IUPAC name of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide (CID 31287521) is 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide?
The canonical SMILES for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide?
The InChIKey is FVHZJSREZHPITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-2-10-22-21(26)18-8-3-4-9-19(18)23-20(25)16-6-5-7-17(15-16)30(27,28)24-11-13-29-14-12-24/h3-9,15H,2,10-14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide?
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide has a molecular weight of 431.51 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 31287521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).