N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide

C28H28FN3O2S — CID 46740494

IUPACN-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(c2ccccc2)N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C28H28FN3O2S/c1-2-21-19-22(28(35-21)30-27(33)25-13-8-18-34-25)26(20-9-4-3-5-10-20)32-16-14-31(15-17-32)24-12-7-6-11-23(24)29/h3-13,18-19,26H,2,14-17H2,1H3,(H,30,33)
InChIKeyYUNFPWKSKKVSCW-UHFFFAOYSA-N
MW489.62 g/mol
LogP6.21
Rot. Bonds7

About N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 46740494) has the molecular formula C28H28FN3O2S and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID46740494
Molecular FormulaC28H28FN3O2S
Molecular Weight489.62 g/mol
Exact Mass489.19
IUPAC NameN-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(c2ccccc2)N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C28H28FN3O2S/c1-2-21-19-22(28(35-21)30-27(33)25-13-8-18-34-25)26(20-9-4-3-5-10-20)32-16-14-31(15-17-32)24-12-7-6-11-23(24)29/h3-13,18-19,26H,2,14-17H2,1H3,(H,30,33)
InChIKeyYUNFPWKSKKVSCW-UHFFFAOYSA-N
XLogP6.21
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-ethyl-3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479415
N-[5-ethyl-3-[(R)-(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479499
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-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479410
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479018
N-[5-ethyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479448
N-[3-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479027
N-[5-ethyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479490
N-[3-[(S)-(3-bromophenyl)-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93478910
N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479142
N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479088

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 46740494) is N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide is CCc1cc(C(c2ccccc2)N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is YUNFPWKSKKVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2S/c1-2-21-19-22(28(35-21)30-27(33)25-13-8-18-34-25)26(20-9-4-3-5-10-20)32-16-14-31(15-17-32)24-12-7-6-11-23(24)29/h3-13,18-19,26H,2,14-17H2,1H3,(H,30,33).
What are the key properties of N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).