N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide

C25H31N3O3S — CID 93479490

IUPACN-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@H](c2ccc(OC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C25H31N3O3S/c1-4-20-17-21(25(32-20)26-24(29)22-7-6-16-31-22)23(18-8-10-19(30-3)11-9-18)28-14-12-27(5-2)13-15-28/h6-11,16-17,23H,4-5,12-15H2,1-3H3,(H,26,29)/t23-/m0/s1
InChIKeyAFHOHCVEFMKAPM-QHCPKHFHSA-N
MW453.61 g/mol
LogP4.89
Rot. Bonds8

About N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93479490) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID93479490
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@H](c2ccc(OC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C25H31N3O3S/c1-4-20-17-21(25(32-20)26-24(29)22-7-6-16-31-22)23(18-8-10-19(30-3)11-9-18)28-14-12-27(5-2)13-15-28/h6-11,16-17,23H,4-5,12-15H2,1-3H3,(H,26,29)/t23-/m0/s1
InChIKeyAFHOHCVEFMKAPM-QHCPKHFHSA-N
XLogP4.89
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479499
N-[3-[(S)-(2,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479516
N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740345
N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479088
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479415
N-[3-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479410
N-[3-[(R)-(2,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479437
N-[3-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479027
N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479194
N-[5-ethyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479448
N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 46740494
N-[5-ethyl-3-[(4-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
CID 3542310

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 93479490) is N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide is CCc1cc([C@H](c2ccc(OC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is AFHOHCVEFMKAPM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-4-20-17-21(25(32-20)26-24(29)22-7-6-16-31-22)23(18-8-10-19(30-3)11-9-18)28-14-12-27(5-2)13-15-28/h6-11,16-17,23H,4-5,12-15H2,1-3H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).