1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide

C21H27N3O4S — CID 55718156

IUPAC1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)CC1
InChIInChI=1S/C21H27N3O4S/c1-2-3-4-11-22-19(25)15-9-12-24(13-10-15)21(27)17-7-8-18(29-17)23-20(26)16-6-5-14-28-16/h5-8,14-15H,2-4,9-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyWOWCUJAYIPPMCJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.75
Rot. Bonds8

About 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide

1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55718156) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55718156
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)CC1
InChIInChI=1S/C21H27N3O4S/c1-2-3-4-11-22-19(25)15-9-12-24(13-10-15)21(27)17-7-8-18(29-17)23-20(26)16-6-5-14-28-16/h5-8,14-15H,2-4,9-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyWOWCUJAYIPPMCJ-UHFFFAOYSA-N
XLogP3.75
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55890673
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 49070793
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31307900
N-[2-(furan-2-carbonylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 33191164
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31219375
N-[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31314920
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
tert-butyl 4-[2-(furan-2-carbonylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 30797213

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide (CID 55718156) is 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccco3)s2)CC1.
What is the InChIKey of 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is WOWCUJAYIPPMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-2-3-4-11-22-19(25)15-9-12-24(13-10-15)21(27)17-7-8-18(29-17)23-20(26)16-6-5-14-28-16/h5-8,14-15H,2-4,9-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide?
1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55718156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).