N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

C26H33N3O4S — CID 46740345

IUPACN-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(c2cccc(OC)c2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C26H33N3O4S/c1-5-18-17-20(26(34-18)27-25(30)22-11-8-16-33-22)23(29-14-12-28(6-2)13-15-29)19-9-7-10-21(31-3)24(19)32-4/h7-11,16-17,23H,5-6,12-15H2,1-4H3,(H,27,30)
InChIKeyCRHCNFNKTPAOBY-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.90
Rot. Bonds9

About N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 46740345) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
PubChem CID46740345
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(c2cccc(OC)c2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C26H33N3O4S/c1-5-18-17-20(26(34-18)27-25(30)22-11-8-16-33-22)23(29-14-12-28(6-2)13-15-29)19-9-7-10-21(31-3)24(19)32-4/h7-11,16-17,23H,5-6,12-15H2,1-4H3,(H,27,30)
InChIKeyCRHCNFNKTPAOBY-UHFFFAOYSA-N
XLogP4.90
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 46740345) is N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc(C(c2cccc(OC)c2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is CRHCNFNKTPAOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-5-18-17-20(26(34-18)27-25(30)22-11-8-16-33-22)23(29-14-12-28(6-2)13-15-29)19-9-7-10-21(31-3)24(19)32-4/h7-11,16-17,23H,5-6,12-15H2,1-4H3,(H,27,30).
What are the key properties of N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).