N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

C24H26N4O4S — CID 31307900

IUPACN-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)CC1
InChIInChI=1S/C24H26N4O4S/c1-16-5-3-6-17(2)22(16)25-20(29)15-27-10-12-28(13-11-27)24(31)19-8-9-21(33-19)26-23(30)18-7-4-14-32-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyXHUAPXFQYTXSQT-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.61
Rot. Bonds6

About N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31307900) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID31307900
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)CC1
InChIInChI=1S/C24H26N4O4S/c1-16-5-3-6-17(2)22(16)25-20(29)15-27-10-12-28(13-11-27)24(31)19-8-9-21(33-19)26-23(30)18-7-4-14-32-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyXHUAPXFQYTXSQT-UHFFFAOYSA-N
XLogP3.61
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 49070793
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55890673
N-[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9021563
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 27851017
N-[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31314920
N-[5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86941354
N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86889383
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 45361885
N-[3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 27859658
1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 55718156

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 31307900) is N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)CC1.
What is the InChIKey of N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is XHUAPXFQYTXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16-5-3-6-17(2)22(16)25-20(29)15-27-10-12-28(13-11-27)24(31)19-8-9-21(33-19)26-23(30)18-7-4-14-32-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31307900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).