N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C22H29N3O5S — CID 38225023

IUPACN-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)17-5-7-19(8-6-17)31(28,29)25-13-9-18(10-14-25)21(26)23-11-12-24-22(27)20-4-3-15-30-20/h3-8,15-16,18H,9-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKOSGKLSDHAJUFZ-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.35
Rot. Bonds8

About N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 38225023) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID38225023
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)17-5-7-19(8-6-17)31(28,29)25-13-9-18(10-14-25)21(26)23-11-12-24-22(27)20-4-3-15-30-20/h3-8,15-16,18H,9-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKOSGKLSDHAJUFZ-UHFFFAOYSA-N
XLogP2.35
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.35
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-[2-[(2-chlorobenzoyl)amino]ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55659434
N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
CID 46457547
N-[2-(ethylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505248
N-[2-(furan-2-carbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43049249
N-[3-(methylamino)propyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 119430099
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455
1-(4-propan-2-ylphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 40628999
N-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55723158
N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
1-(benzenesulfonyl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 17442188
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 27333469

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 38225023) is N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KOSGKLSDHAJUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16(2)17-5-7-19(8-6-17)31(28,29)25-13-9-18(10-14-25)21(26)23-11-12-24-22(27)20-4-3-15-30-20/h3-8,15-16,18H,9-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 38225023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).