3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide

C19H22N2O4S — CID 2460107

IUPAC3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(10-15-26(23,24)18-4-2-1-3-5-18)20-16-6-8-17(9-7-16)21-11-13-25-14-12-21/h1-9H,10-15H2,(H,20,22)
InChIKeyBUNNJZNFABIHCF-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.33
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide

3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 2460107) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID2460107
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(10-15-26(23,24)18-4-2-1-3-5-18)20-16-6-8-17(9-7-16)21-11-13-25-14-12-21/h1-9H,10-15H2,(H,20,22)
InChIKeyBUNNJZNFABIHCF-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Propanamide, N-(4-aminosulfonylphenyl)-3-(4-morpholyl)-
CID 567846
N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3365377
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
4-[4-(Phenylsulfonyl)phenyl]morpholine
CID 726898
1-(3-(3-Morpholinopropylsulfonyl)phenyl)-3-phenylurea
CID 24809976
1-Oxo-1-(phenylamino)-3-(phenylsulfonyl)butan-2-yl acetate
CID 663942
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 2450449
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4571967

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide (CID 2460107) is 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is BUNNJZNFABIHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(10-15-26(23,24)18-4-2-1-3-5-18)20-16-6-8-17(9-7-16)21-11-13-25-14-12-21/h1-9H,10-15H2,(H,20,22).
What are the key properties of 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide?
3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 374.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2460107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).