N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide

C16H20N2O5S2 — CID 46466417

IUPACN-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1
InChIInChI=1S/C16H20N2O5S2/c1-2-12-3-4-13(24-12)11-17-16(19)14-5-6-15(23-14)25(20,21)18-7-9-22-10-8-18/h3-6H,2,7-11H2,1H3,(H,17,19)
InChIKeyZXYUZUDWTQCIIK-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.85
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide (PubChem CID 46466417) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
PubChem CID46466417
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1
InChIInChI=1S/C16H20N2O5S2/c1-2-12-3-4-13(24-12)11-17-16(19)14-5-6-15(23-14)25(20,21)18-7-9-22-10-8-18/h3-6H,2,7-11H2,1H3,(H,17,19)
InChIKeyZXYUZUDWTQCIIK-UHFFFAOYSA-N
XLogP1.85
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 110476324
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112528608
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 41312007
5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
CID 39576917
5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 39087927
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46466616
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 55479527

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide (CID 46466417) is N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide is CCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The InChIKey is ZXYUZUDWTQCIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-2-12-3-4-13(24-12)11-17-16(19)14-5-6-15(23-14)25(20,21)18-7-9-22-10-8-18/h3-6H,2,7-11H2,1H3,(H,17,19).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 46466417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).