3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide

C24H31N3O5S — CID 651404

IUPAC3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1
InChIInChI=1S/C24H31N3O5S/c1-31-22-4-2-3-20(17-22)24(28)25-18-19-9-11-26(12-10-19)21-5-7-23(8-6-21)33(29,30)27-13-15-32-16-14-27/h2-8,17,19H,9-16,18H2,1H3,(H,25,28)
InChIKeyGXODBJWILLCLPC-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.36
Rot. Bonds7

About 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide

3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide (PubChem CID 651404) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
PubChem CID651404
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1
InChIInChI=1S/C24H31N3O5S/c1-31-22-4-2-3-20(17-22)24(28)25-18-19-9-11-26(12-10-19)21-5-7-23(8-6-21)33(29,30)27-13-15-32-16-14-27/h2-8,17,19H,9-16,18H2,1H3,(H,25,28)
InChIKeyGXODBJWILLCLPC-UHFFFAOYSA-N
XLogP2.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

PG-116800
CID 9848869
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
N-[4-(4-morpholinylmethyl)phenyl]-3-propoxybenzamide
CID 4459139
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
4-(dimethylsulfamoyl)-N-{4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}benzamide
CID 1277944
4-[(dipropylamino)sulfonyl]-N-{4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
7-methyl-4-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-4H-chromene-2-carboxamide
CID 16013517

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide (CID 651404) is 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide is COc1cccc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is GXODBJWILLCLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-31-22-4-2-3-20(17-22)24(28)25-18-19-9-11-26(12-10-19)21-5-7-23(8-6-21)33(29,30)27-13-15-32-16-14-27/h2-8,17,19H,9-16,18H2,1H3,(H,25,28).
What are the key properties of 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 651404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).