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

C20H24N2O4S — CID 19061853

IUPAC3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-2-4-17(5-3-16)6-11-20(23)21-18-7-9-19(10-8-18)27(24,25)22-12-14-26-15-13-22/h2-5,7-10H,6,11-15H2,1H3,(H,21,23)
InChIKeyHRVFRTRDTSZFFM-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.59
Rot. Bonds6

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

3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 19061853) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID19061853
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-2-4-17(5-3-16)6-11-20(23)21-18-7-9-19(10-8-18)27(24,25)22-12-14-26-15-13-22/h2-5,7-10H,6,11-15H2,1H3,(H,21,23)
InChIKeyHRVFRTRDTSZFFM-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119516414
4-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 47046843
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55895813
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 19061853) is 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is HRVFRTRDTSZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-2-4-17(5-3-16)6-11-20(23)21-18-7-9-19(10-8-18)27(24,25)22-12-14-26-15-13-22/h2-5,7-10H,6,11-15H2,1H3,(H,21,23).
What are the key properties of 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 19061853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).