N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C21H23N3O2S — CID 16809791

IUPACN-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H23N3O2S/c25-21(20-9-5-15-27-20)22-16-18(19-8-4-14-26-19)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2,(H,22,25)
InChIKeyIMTREFVLTNSTMR-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 16809791) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID16809791
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H23N3O2S/c25-21(20-9-5-15-27-20)22-16-18(19-8-4-14-26-19)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2,(H,22,25)
InChIKeyIMTREFVLTNSTMR-UHFFFAOYSA-N
XLogP3.63
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 7162743
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
N-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 7162699
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162621
N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 16809755
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 41234650
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitrobenzamide
CID 7162631
N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 16809801
N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7162671
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 16809791) is N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is IMTREFVLTNSTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-21(20-9-5-15-27-20)22-16-18(19-8-4-14-26-19)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2,(H,22,25).
What are the key properties of N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16809791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).