5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide

C23H28N2O6S — CID 55914473

IUPAC5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O6S/c1-30-20-9-7-19(8-10-20)22(26)3-2-4-23(27)24-17-18-5-11-21(12-6-18)32(28,29)25-13-15-31-16-14-25/h5-12H,2-4,13-17H2,1H3,(H,24,27)
InChIKeyJLHNGDBQZPQQKF-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.39
Rot. Bonds10

About 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide

5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide (PubChem CID 55914473) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
PubChem CID55914473
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O6S/c1-30-20-9-7-19(8-10-20)22(26)3-2-4-23(27)24-17-18-5-11-21(12-6-18)32(28,29)25-13-15-31-16-14-25/h5-12H,2-4,13-17H2,1H3,(H,24,27)
InChIKeyJLHNGDBQZPQQKF-UHFFFAOYSA-N
XLogP2.39
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2429764
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CID 55921189
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875035
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide (CID 55914473) is 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide?
The InChIKey is JLHNGDBQZPQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-30-20-9-7-19(8-10-20)22(26)3-2-4-23(27)24-17-18-5-11-21(12-6-18)32(28,29)25-13-15-31-16-14-25/h5-12H,2-4,13-17H2,1H3,(H,24,27).
What are the key properties of 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide?
5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide has a molecular weight of 460.55 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide is sourced from PubChem (CID 55914473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).