5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

C19H27N3O5S2 — CID 24643808

IUPAC5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)N2CCOCC2)o1
InChIInChI=1S/C19H27N3O5S2/c1-14-3-5-17(27-14)16(22-9-11-26-12-10-22)13-20-19(23)18-6-4-15(28-18)7-8-21-29(2,24)25/h3-6,16,21H,7-13H2,1-2H3,(H,20,23)
InChIKeyRNLPYISTLUMYIW-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.54
Rot. Bonds9

About 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 24643808) has the molecular formula C19H27N3O5S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
PubChem CID24643808
Molecular FormulaC19H27N3O5S2
Molecular Weight441.58 g/mol
Exact Mass441.14
IUPAC Name5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)N2CCOCC2)o1
InChIInChI=1S/C19H27N3O5S2/c1-14-3-5-17(27-14)16(22-9-11-26-12-10-22)13-20-19(23)18-6-4-15(28-18)7-8-21-29(2,24)25/h3-6,16,21H,7-13H2,1-2H3,(H,20,23)
InChIKeyRNLPYISTLUMYIW-UHFFFAOYSA-N
XLogP1.54
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (CID 24643808) is 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is Cc1ccc(C(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)N2CCOCC2)o1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is RNLPYISTLUMYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S2/c1-14-3-5-17(27-14)16(22-9-11-26-12-10-22)13-20-19(23)18-6-4-15(28-18)7-8-21-29(2,24)25/h3-6,16,21H,7-13H2,1-2H3,(H,20,23).
What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24643808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).