N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide

C21H26N2O5S — CID 52713270

IUPACN-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-19-9-7-17(8-10-19)4-3-11-22-21(24)18-5-2-6-20(16-18)29(25,26)23-12-14-28-15-13-23/h2,5-10,16H,3-4,11-15H2,1H3,(H,22,24)
InChIKeyCPAMXSZFQUSJIW-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.08
Rot. Bonds8

About N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide

N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 52713270) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID52713270
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-19-9-7-17(8-10-19)4-3-11-22-21(24)18-5-2-6-20(16-18)29(25,26)23-12-14-28-15-13-23/h2,5-10,16H,3-4,11-15H2,1H3,(H,22,24)
InChIKeyCPAMXSZFQUSJIW-UHFFFAOYSA-N
XLogP2.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 2662298
N-[3-(3-methoxyphenyl)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969119
3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 2671800
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119548741
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
(4-methoxyphenyl)methyl (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate
CID 16577345
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide (CID 52713270) is N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CPAMXSZFQUSJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-19-9-7-17(8-10-19)4-3-11-22-21(24)18-5-2-6-20(16-18)29(25,26)23-12-14-28-15-13-23/h2,5-10,16H,3-4,11-15H2,1H3,(H,22,24).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 52713270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).