2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

C25H25N3O3S2 — CID 55757013

IUPAC2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)s1
InChIInChI=1S/C25H25N3O3S2/c1-17-8-9-21(33-17)15-28(12-10-19-6-4-3-5-7-19)23(29)14-20-16-32-25(26-20)27-24(30)22-11-13-31-18(22)2/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,26,27,30)
InChIKeyAZVYKHQURUTOSP-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.48
Rot. Bonds9

About 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 55757013) has the molecular formula C25H25N3O3S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID55757013
Molecular FormulaC25H25N3O3S2
Molecular Weight479.63 g/mol
Exact Mass479.13
IUPAC Name2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)s1
InChIInChI=1S/C25H25N3O3S2/c1-17-8-9-21(33-17)15-28(12-10-19-6-4-3-5-7-19)23(29)14-20-16-32-25(26-20)27-24(30)22-11-13-31-18(22)2/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,26,27,30)
InChIKeyAZVYKHQURUTOSP-UHFFFAOYSA-N
XLogP5.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 55757013) is 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)s1.
What is the InChIKey of 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is AZVYKHQURUTOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2/c1-17-8-9-21(33-17)15-28(12-10-19-6-4-3-5-7-19)23(29)14-20-16-32-25(26-20)27-24(30)22-11-13-31-18(22)2/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,26,27,30).
What are the key properties of 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55757013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).