4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide

C19H31N3O4S — CID 112505089

IUPAC4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H31N3O4S/c1-16-14-17(25-3)4-5-18(16)27(23,24)20-15-19(6-8-21(2)9-7-19)22-10-12-26-13-11-22/h4-5,14,20H,6-13,15H2,1-3H3
InChIKeyAZFXGIJJKFYVRI-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.08
Rot. Bonds6

About 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide

4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 112505089) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID112505089
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H31N3O4S/c1-16-14-17(25-3)4-5-18(16)27(23,24)20-15-19(6-8-21(2)9-7-19)22-10-12-26-13-11-22/h4-5,14,20H,6-13,15H2,1-3H3
InChIKeyAZFXGIJJKFYVRI-UHFFFAOYSA-N
XLogP1.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzenesulfonamide
CID 31071074
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113090862
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97042676
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 110875704
3-[(1-morpholin-4-ylcyclopropyl)methylsulfamoyl]-4-propan-2-ylbenzoic acid
CID 146129064

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 112505089) is 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is AZFXGIJJKFYVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-16-14-17(25-3)4-5-18(16)27(23,24)20-15-19(6-8-21(2)9-7-19)22-10-12-26-13-11-22/h4-5,14,20H,6-13,15H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 112505089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).