N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H21N3O5S2 — CID 55548927

IUPACN-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccco1
InChIInChI=1S/C17H21N3O5S2/c21-16(18-7-8-19-17(22)14-5-2-10-25-14)13-4-1-9-20(12-13)27(23,24)15-6-3-11-26-15/h2-3,5-6,10-11,13H,1,4,7-9,12H2,(H,18,21)(H,19,22)
InChIKeyOHLFTTQUXRAXQP-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55548927) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55548927
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccco1
InChIInChI=1S/C17H21N3O5S2/c21-16(18-7-8-19-17(22)14-5-2-10-25-14)13-4-1-9-20(12-13)27(23,24)15-6-3-11-26-15/h2-3,5-6,10-11,13H,1,4,7-9,12H2,(H,18,21)(H,19,22)
InChIKeyOHLFTTQUXRAXQP-UHFFFAOYSA-N
XLogP1.29
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515
(3R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95875459
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9477271
(3S)-N-(2-cyclohexylsulfanylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802318
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38011691

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55548927) is N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NCCNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is OHLFTTQUXRAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c21-16(18-7-8-19-17(22)14-5-2-10-25-14)13-4-1-9-20(12-13)27(23,24)15-6-3-11-26-15/h2-3,5-6,10-11,13H,1,4,7-9,12H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55548927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).