N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C23H26N2O4S — CID 46442262

IUPACN-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H26N2O4S/c1-16(2)21(25-22(26)20-9-5-11-30-20)23(27)24-13-17-6-3-7-18(12-17)14-28-15-19-8-4-10-29-19/h3-12,16,21H,13-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQLXJMOJQAKBLRW-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.13
Rot. Bonds10

About N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 46442262) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID46442262
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H26N2O4S/c1-16(2)21(25-22(26)20-9-5-11-30-20)23(27)24-13-17-6-3-7-18(12-17)14-28-15-19-8-4-10-29-19/h3-12,16,21H,13-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQLXJMOJQAKBLRW-UHFFFAOYSA-N
XLogP4.13
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 46442262) is N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NCc1cccc(COCc2ccco2)c1.
What is the InChIKey of N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is QLXJMOJQAKBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16(2)21(25-22(26)20-9-5-11-30-20)23(27)24-13-17-6-3-7-18(12-17)14-28-15-19-8-4-10-29-19/h3-12,16,21H,13-15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46442262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).