N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide

C25H30N2O6S — CID 4586415

IUPACN-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C25H30N2O6S/c1-15-16(2)34-25(26-24(28)18-7-6-10-33-18)21(15)22(27-8-11-32-12-9-27)17-13-19(29-3)23(31-5)20(14-17)30-4/h6-7,10,13-14,22H,8-9,11-12H2,1-5H3,(H,26,28)
InChIKeyIMYUXOMZWSYFFL-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.66
Rot. Bonds8

About N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 4586415) has the molecular formula C25H30N2O6S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID4586415
Molecular FormulaC25H30N2O6S
Molecular Weight486.59 g/mol
Exact Mass486.18
IUPAC NameN-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C25H30N2O6S/c1-15-16(2)34-25(26-24(28)18-7-6-10-33-18)21(15)22(27-8-11-32-12-9-27)17-13-19(29-3)23(31-5)20(14-17)30-4/h6-7,10,13-14,22H,8-9,11-12H2,1-5H3,(H,26,28)
InChIKeyIMYUXOMZWSYFFL-UHFFFAOYSA-N
XLogP4.66
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 4586415) is N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide is COc1cc(C(c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is IMYUXOMZWSYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6S/c1-15-16(2)34-25(26-24(28)18-7-6-10-33-18)21(15)22(27-8-11-32-12-9-27)17-13-19(29-3)23(31-5)20(14-17)30-4/h6-7,10,13-14,22H,8-9,11-12H2,1-5H3,(H,26,28).
What are the key properties of N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4586415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).