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

C22H28N2O5S — CID 55655217

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N2O5S/c1-2-14-29-20-5-3-4-19(17-20)23-22(25)11-8-18-6-9-21(10-7-18)30(26,27)24-12-15-28-16-13-24/h3-7,9-10,17H,2,8,11-16H2,1H3,(H,23,25)
InChIKeyDVNAGOVLDBHFNH-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.07
Rot. Bonds9

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

3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide (PubChem CID 55655217) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
PubChem CID55655217
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N2O5S/c1-2-14-29-20-5-3-4-19(17-20)23-22(25)11-8-18-6-9-21(10-7-18)30(26,27)24-12-15-28-16-13-24/h3-7,9-10,17H,2,8,11-16H2,1H3,(H,23,25)
InChIKeyDVNAGOVLDBHFNH-UHFFFAOYSA-N
XLogP3.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55584132
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55880350
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29203618
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 24660270
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide (CID 55655217) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide is CCCOc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide?
The InChIKey is DVNAGOVLDBHFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-2-14-29-20-5-3-4-19(17-20)23-22(25)11-8-18-6-9-21(10-7-18)30(26,27)24-12-15-28-16-13-24/h3-7,9-10,17H,2,8,11-16H2,1H3,(H,23,25).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide has a molecular weight of 432.54 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide is sourced from PubChem (CID 55655217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).