7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C17H18N2O4S2 — CID 4203314

IUPAC7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)C1C(=O)Nc2cc(S(C)(=O)=O)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C17H18N2O4S2/c1-10(2)15-16(20)18-12-9-11(25(3,22)23)6-7-13(12)19(15)17(21)14-5-4-8-24-14/h4-10,15H,1-3H3,(H,18,20)
InChIKeyGEFQSDVSFICHBX-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.78
Rot. Bonds3

About 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 4203314) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID4203314
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)C1C(=O)Nc2cc(S(C)(=O)=O)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C17H18N2O4S2/c1-10(2)15-16(20)18-12-9-11(25(3,22)23)6-7-13(12)19(15)17(21)14-5-4-8-24-14/h4-10,15H,1-3H3,(H,18,20)
InChIKeyGEFQSDVSFICHBX-UHFFFAOYSA-N
XLogP2.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 4203314) is 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is CC(C)C1C(=O)Nc2cc(S(C)(=O)=O)ccc2N1C(=O)c1cccs1.
What is the InChIKey of 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is GEFQSDVSFICHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-10(2)15-16(20)18-12-9-11(25(3,22)23)6-7-13(12)19(15)17(21)14-5-4-8-24-14/h4-10,15H,1-3H3,(H,18,20).
What are the key properties of 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-3-propan-2-yl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4203314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).