4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide

C24H31N3O5S — CID 90801739

IUPAC4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N(C)C3CCN(C(=O)N4CCOCC4)CC3)cc2)cc1
InChIInChI=1S/C24H31N3O5S/c1-25(21-11-13-26(14-12-21)24(28)27-15-17-32-18-16-27)33(29,30)23-9-5-20(6-10-23)19-3-7-22(31-2)8-4-19/h3-10,21H,11-18H2,1-2H3
InChIKeyCZVXLJKBKCSMBA-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.90
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide

4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 90801739) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID90801739
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N(C)C3CCN(C(=O)N4CCOCC4)CC3)cc2)cc1
InChIInChI=1S/C24H31N3O5S/c1-25(21-11-13-26(14-12-21)24(28)27-15-17-32-18-16-27)33(29,30)23-9-5-20(6-10-23)19-3-7-22(31-2)8-4-19/h3-10,21H,11-18H2,1-2H3
InChIKeyCZVXLJKBKCSMBA-UHFFFAOYSA-N
XLogP2.90
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79122048
2-[[4-(4-methoxyphenyl)phenyl]sulfonylmethylamino]-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 151848488
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470
N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
CID 136542154
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
CID 11742058
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide
CID 91170376
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
CID 75474719

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 90801739) is 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)N(C)C3CCN(C(=O)N4CCOCC4)CC3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is CZVXLJKBKCSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-25(21-11-13-26(14-12-21)24(28)27-15-17-32-18-16-27)33(29,30)23-9-5-20(6-10-23)19-3-7-22(31-2)8-4-19/h3-10,21H,11-18H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 473.60 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90801739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).