5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide

C17H20N2O4S2 — CID 16895113

IUPAC5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)s1
InChIInChI=1S/C17H20N2O4S2/c1-13-7-8-17(24-13)25(21,22)18-11-16(20)19-9-10-23-15(12-19)14-5-3-2-4-6-14/h2-8,15,18H,9-12H2,1H3
InChIKeyQYYUYJXKADXOKQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.93
Rot. Bonds5

About 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 16895113) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID16895113
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)s1
InChIInChI=1S/C17H20N2O4S2/c1-13-7-8-17(24-13)25(21,22)18-11-16(20)19-9-10-23-15(12-19)14-5-3-2-4-6-14/h2-8,15,18H,9-12H2,1H3
InChIKeyQYYUYJXKADXOKQ-UHFFFAOYSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide (CID 16895113) is 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is QYYUYJXKADXOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-13-7-8-17(24-13)25(21,22)18-11-16(20)19-9-10-23-15(12-19)14-5-3-2-4-6-14/h2-8,15,18H,9-12H2,1H3.
What are the key properties of 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16895113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).