(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate

C20H23NO6S — CID 27010764

IUPAC(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1cccc(COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H23NO6S/c1-15-6-7-17(13-19(15)28(23,24)21-8-10-26-11-9-21)20(22)27-14-16-4-3-5-18(12-16)25-2/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGNMJAKGNXYKCCZ-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.38
Rot. Bonds6

About (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate

(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 27010764) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
PubChem CID27010764
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1cccc(COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H23NO6S/c1-15-6-7-17(13-19(15)28(23,24)21-8-10-26-11-9-21)20(22)27-14-16-4-3-5-18(12-16)25-2/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGNMJAKGNXYKCCZ-UHFFFAOYSA-N
XLogP2.38
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 55456109
(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568664
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 8762046
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
(1-methoxy-1-oxopropan-2-yl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568784
imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 7761611
(3-methylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 42980000
(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569033
naphthalen-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2677401
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55500404
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16624854

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate (CID 27010764) is (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate is COc1cccc(COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is GNMJAKGNXYKCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-15-6-7-17(13-19(15)28(23,24)21-8-10-26-11-9-21)20(22)27-14-16-4-3-5-18(12-16)25-2/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 405.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 27010764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).