morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

C18H20N2O4S2 — CID 2938448

IUPACmorpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone
SMILESO=C(C1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C18H20N2O4S2/c21-18(19-7-9-24-10-8-19)16-12-14-4-1-2-5-15(14)13-20(16)26(22,23)17-6-3-11-25-17/h1-6,11,16H,7-10,12-13H2
InChIKeyFJWXTXIYCBFCCD-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.72
Rot. Bonds3

About morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone (PubChem CID 2938448) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone
PubChem CID2938448
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Namemorpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone
SMILESO=C(C1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C18H20N2O4S2/c21-18(19-7-9-24-10-8-19)16-12-14-4-1-2-5-15(14)13-20(16)26(22,23)17-6-3-11-25-17/h1-6,11,16H,7-10,12-13H2
InChIKeyFJWXTXIYCBFCCD-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone (CID 2938448) is morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone is O=C(C1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone?
The InChIKey is FJWXTXIYCBFCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c21-18(19-7-9-24-10-8-19)16-12-14-4-1-2-5-15(14)13-20(16)26(22,23)17-6-3-11-25-17/h1-6,11,16H,7-10,12-13H2.
What are the key properties of morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone?
morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone has a molecular weight of 392.50 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone is sourced from PubChem (CID 2938448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).