(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

C17H19NO6S2 — CID 55456109

IUPAC(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESCOc1cccc(COC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19NO6S2/c1-22-14-4-2-3-13(11-14)12-24-17(19)16-15(5-10-25-16)26(20,21)18-6-8-23-9-7-18/h2-5,10-11H,6-9,12H2,1H3
InChIKeyCQCMBAFTHQWAND-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.13
Rot. Bonds6

About (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate (PubChem CID 55456109) has the molecular formula C17H19NO6S2 and a molecular weight of 397.47 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
PubChem CID55456109
Molecular FormulaC17H19NO6S2
Molecular Weight397.47 g/mol
Exact Mass397.07
IUPAC Name(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESCOc1cccc(COC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19NO6S2/c1-22-14-4-2-3-13(11-14)12-24-17(19)16-15(5-10-25-16)26(20,21)18-6-8-23-9-7-18/h2-5,10-11H,6-9,12H2,1H3
InChIKeyCQCMBAFTHQWAND-UHFFFAOYSA-N
XLogP2.13
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 27010764
[3-(trifluoromethyl)phenyl]methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 46517261
2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 167889935
(2-chloroquinolin-3-yl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 25386928
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18209328
methyl 3-[4-[(2R)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 98403244
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-methyl-1,2-oxazol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 33130674
(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
CID 29382847
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate (CID 55456109) is (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate is COc1cccc(COC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The InChIKey is CQCMBAFTHQWAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S2/c1-22-14-4-2-3-13(11-14)12-24-17(19)16-15(5-10-25-16)26(20,21)18-6-8-23-9-7-18/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 55456109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).