N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C22H27N3O6S — CID 33263713

IUPACN-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)c1
InChIInChI=1S/C22H27N3O6S/c1-15(2)20(23-21(27)19-8-5-13-31-19)22(28)24-9-11-25(12-10-24)32(29,30)18-7-4-6-17(14-18)16(3)26/h4-8,13-15,20H,9-12H2,1-3H3,(H,23,27)/t20-/m0/s1
InChIKeyYHORKFHGXBGOLT-FQEVSTJZSA-N
MW461.54 g/mol
LogP1.77
Rot. Bonds7

About N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 33263713) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID33263713
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC NameN-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)c1
InChIInChI=1S/C22H27N3O6S/c1-15(2)20(23-21(27)19-8-5-13-31-19)22(28)24-9-11-25(12-10-24)32(29,30)18-7-4-6-17(14-18)16(3)26/h4-8,13-15,20H,9-12H2,1-3H3,(H,23,27)/t20-/m0/s1
InChIKeyYHORKFHGXBGOLT-FQEVSTJZSA-N
XLogP1.77
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24536788
N-[(2S)-3-methyl-1-oxo-1-[4-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]butan-2-yl]furan-2-carboxamide
CID 95086858
N-[(2S)-1-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 31202602
N-[1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55341503
N-[3-methyl-1-oxo-1-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-2-yl]furan-2-carboxamide
CID 53078773
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 55936617
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 110818095
N-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 24537442
1-(3-acetylphenyl)sulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 9482139
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 34426748
N-[(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 55929166

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 33263713) is N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)c1.
What is the InChIKey of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is YHORKFHGXBGOLT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-15(2)20(23-21(27)19-8-5-13-31-19)22(28)24-9-11-25(12-10-24)32(29,30)18-7-4-6-17(14-18)16(3)26/h4-8,13-15,20H,9-12H2,1-3H3,(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 33263713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).