N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide

C20H27N3O4S — CID 46457547

IUPACN-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H27N3O4S/c1-16(2)17-5-7-18(8-6-17)28(25,26)23-13-11-22(12-14-23)10-9-21-20(24)19-4-3-15-27-19/h3-8,15-16H,9-14H2,1-2H3,(H,21,24)
InChIKeyRIBPHIRRPOYXGM-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.14
Rot. Bonds7

About N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 46457547) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID46457547
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H27N3O4S/c1-16(2)17-5-7-18(8-6-17)28(25,26)23-13-11-22(12-14-23)10-9-21-20(24)19-4-3-15-27-19/h3-8,15-16H,9-14H2,1-2H3,(H,21,24)
InChIKeyRIBPHIRRPOYXGM-UHFFFAOYSA-N
XLogP2.14
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 38225023
N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34610722
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
CID 29195593
N-[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]ethyl]furan-2-carboxamide
CID 55549044
N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 26869336
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24536788
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide (CID 46457547) is N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is RIBPHIRRPOYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-16(2)17-5-7-18(8-6-17)28(25,26)23-13-11-22(12-14-23)10-9-21-20(24)19-4-3-15-27-19/h3-8,15-16H,9-14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 46457547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).