N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C20H21N3O4S — CID 2078883

IUPACN-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H21N3O4S/c21-15-17-1-6-18(7-2-17)22-20(24)10-5-16-3-8-19(9-4-16)28(25,26)23-11-13-27-14-12-23/h1-4,6-9H,5,10-14H2,(H,22,24)
InChIKeyBKDKGEYABKVUPM-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.15
Rot. Bonds6

About N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2078883) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2078883
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H21N3O4S/c21-15-17-1-6-18(7-2-17)22-20(24)10-5-16-3-8-19(9-4-16)28(25,26)23-11-13-27-14-12-23/h1-4,6-9H,5,10-14H2,(H,22,24)
InChIKeyBKDKGEYABKVUPM-UHFFFAOYSA-N
XLogP2.15
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-({[4-(4-morpholinylsulfonyl)phenyl]amino}carbonothioyl)-3-phenylpropanamide
CID 1014410
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 1118039
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide
CID 1211169

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2078883) is N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is N#Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is BKDKGEYABKVUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c21-15-17-1-6-18(7-2-17)22-20(24)10-5-16-3-8-19(9-4-16)28(25,26)23-11-13-27-14-12-23/h1-4,6-9H,5,10-14H2,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 399.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2078883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).