N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide

C21H27N3O5S — CID 44961309

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O5S/c1-2-18(17-7-4-3-5-8-17)20(25)22-10-16-30(27,28)24-13-11-23(12-14-24)21(26)19-9-6-15-29-19/h3-9,15,18H,2,10-14,16H2,1H3,(H,22,25)
InChIKeyOAUZQEBYASDRLM-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.68
Rot. Bonds8

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide (PubChem CID 44961309) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide
PubChem CID44961309
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O5S/c1-2-18(17-7-4-3-5-8-17)20(25)22-10-16-30(27,28)24-13-11-23(12-14-24)21(26)19-9-6-15-29-19/h3-9,15,18H,2,10-14,16H2,1H3,(H,22,25)
InChIKeyOAUZQEBYASDRLM-UHFFFAOYSA-N
XLogP1.68
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 16820026
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601104
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
CID 110342641
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
(2S)-1-(4-methylsulfonylpiperazin-1-yl)-2-phenylbutan-1-one
CID 1246525
N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide
CID 839587
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide
CID 111166347
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide (CID 44961309) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide is CCC(C(=O)NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide?
The InChIKey is OAUZQEBYASDRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-2-18(17-7-4-3-5-8-17)20(25)22-10-16-30(27,28)24-13-11-23(12-14-24)21(26)19-9-6-15-29-19/h3-9,15,18H,2,10-14,16H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide has a molecular weight of 433.53 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide is sourced from PubChem (CID 44961309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).