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

C25H31N3O4S — CID 93479437

IUPACN-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@@H](c2ccc(OC)cc2OC)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C25H31N3O4S/c1-5-18-16-20(25(33-18)26-24(29)21-7-6-14-32-21)23(28-12-10-27(2)11-13-28)19-9-8-17(30-3)15-22(19)31-4/h6-9,14-16,23H,5,10-13H2,1-4H3,(H,26,29)/t23-/m1/s1
InChIKeyQARYMKCJDGIPHO-HSZRJFAPSA-N
MW469.61 g/mol
LogP4.51
Rot. Bonds8

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

N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93479437) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
PubChem CID93479437
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@@H](c2ccc(OC)cc2OC)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C25H31N3O4S/c1-5-18-16-20(25(33-18)26-24(29)21-7-6-14-32-21)23(28-12-10-27(2)11-13-28)19-9-8-17(30-3)15-22(19)31-4/h6-9,14-16,23H,5,10-13H2,1-4H3,(H,26,29)/t23-/m1/s1
InChIKeyQARYMKCJDGIPHO-HSZRJFAPSA-N
XLogP4.51
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[(S)-(2,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479516
N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479250
N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479490
N-[3-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740268
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479415
N-[5-ethyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479448
N-[3-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479410
N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740345
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479418
N-[5-ethyl-3-[(R)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479417
N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479088
N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93480637

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 93479437) is N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc([C@@H](c2ccc(OC)cc2OC)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is QARYMKCJDGIPHO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-5-18-16-20(25(33-18)26-24(29)21-7-6-14-32-21)23(28-12-10-27(2)11-13-28)19-9-8-17(30-3)15-22(19)31-4/h6-9,14-16,23H,5,10-13H2,1-4H3,(H,26,29)/t23-/m1/s1.
What are the key properties of N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).