3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C21H28N2O5S — CID 5045955

IUPAC3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O5S/c1-16-5-11-19(12-6-16)29(25,26)23-20(15-21(24)22-13-4-14-27-2)17-7-9-18(28-3)10-8-17/h5-12,20,23H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyGYXLWJGLSBUARQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.57
Rot. Bonds11

About 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 5045955) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID5045955
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O5S/c1-16-5-11-19(12-6-16)29(25,26)23-20(15-21(24)22-13-4-14-27-2)17-7-9-18(28-3)10-8-17/h5-12,20,23H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyGYXLWJGLSBUARQ-UHFFFAOYSA-N
XLogP2.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cyprosulfamide
CID 11707647
Glisentide
CID 65779
(2R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]-4-[(2-phenylacetyl)amino]butanamide
CID 25102197
(2R)-4-acetamido-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]butanamide
CID 44634267
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-Sulfamoylbenzamide
CID 21806575
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
(3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-pentyl-amino]propyl]-3-hydroxy-pentanamide
CID 44582044
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]-4-methylpentanamide
CID 71456877
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 4354484

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 5045955) is 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is GYXLWJGLSBUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-16-5-11-19(12-6-16)29(25,26)23-20(15-21(24)22-13-4-14-27-2)17-7-9-18(28-3)10-8-17/h5-12,20,23H,4,13-15H2,1-3H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 420.53 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 5045955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).