N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide

C18H21N3O6S2 — CID 4850527

IUPACN-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H21N3O6S2/c1-26-15-5-4-13(29(24,25)21-6-8-27-9-7-21)11-14(15)20-17(22)12-19-18(23)16-3-2-10-28-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyXLCQUELECGFHQC-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.15
Rot. Bonds7

About N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 4850527) has the molecular formula C18H21N3O6S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID4850527
Molecular FormulaC18H21N3O6S2
Molecular Weight439.52 g/mol
Exact Mass439.09
IUPAC NameN-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H21N3O6S2/c1-26-15-5-4-13(29(24,25)21-6-8-27-9-7-21)11-14(15)20-17(22)12-19-18(23)16-3-2-10-28-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyXLCQUELECGFHQC-UHFFFAOYSA-N
XLogP1.15
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 4850527) is N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XLCQUELECGFHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S2/c1-26-15-5-4-13(29(24,25)21-6-8-27-9-7-21)11-14(15)20-17(22)12-19-18(23)16-3-2-10-28-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4850527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).