N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide

C20H23N3O5S — CID 8874279

IUPACN-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H23N3O5S/c24-19(9-10-21-20(25)16-5-2-1-3-6-16)22-17-7-4-8-18(15-17)29(26,27)23-11-13-28-14-12-23/h1-8,15H,9-14H2,(H,21,25)(H,22,24)
InChIKeyOBNJJMSMSSNMBE-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.47
Rot. Bonds7

About N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide

N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide (PubChem CID 8874279) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
PubChem CID8874279
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H23N3O5S/c24-19(9-10-21-20(25)16-5-2-1-3-6-16)22-17-7-4-8-18(15-17)29(26,27)23-11-13-28-14-12-23/h1-8,15H,9-14H2,(H,21,25)(H,22,24)
InChIKeyOBNJJMSMSSNMBE-UHFFFAOYSA-N
XLogP1.47
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310
N-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-4-phenoxybenzamide
CID 22107894
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29203618
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 24981162
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide (CID 8874279) is N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The InChIKey is OBNJJMSMSSNMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c24-19(9-10-21-20(25)16-5-2-1-3-6-16)22-17-7-4-8-18(15-17)29(26,27)23-11-13-28-14-12-23/h1-8,15H,9-14H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 8874279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).