2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane

C24H37N3O4S — CID 143155568

IUPAC2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane
SMILESCC.CC.O=C(NCCc1cccs1)C(O)C(O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O4S.2C2H6/c24-17(19(26)21-9-8-16-7-4-14-28-16)18(25)20(27)23-12-10-22(11-13-23)15-5-2-1-3-6-15;2*1-2/h1-7,14,17-18,24-25H,8-13H2,(H,21,26);2*1-2H3
InChIKeyFLWPTLBKGIWIMQ-UHFFFAOYSA-N
MW463.64 g/mol
LogP2.53
Rot. Bonds7

About 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane

2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane (PubChem CID 143155568) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane.

Molecular Properties

Compound Name2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane
PubChem CID143155568
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC Name2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane
SMILESCC.CC.O=C(NCCc1cccs1)C(O)C(O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O4S.2C2H6/c24-17(19(26)21-9-8-16-7-4-14-28-16)18(25)20(27)23-12-10-22(11-13-23)15-5-2-1-3-6-15;2*1-2/h1-7,14,17-18,24-25H,8-13H2,(H,21,26);2*1-2H3
InChIKeyFLWPTLBKGIWIMQ-UHFFFAOYSA-N
XLogP2.53
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)butanamide
CID 143155083
ethyl 2-[1-[2,3-dihydroxy-4-oxo-4-(2-thiophen-2-ylethylamino)butanoyl]piperidin-4-yl]acetate
CID 73069903
ethyl 3-[1-[(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-thiophen-2-ylethylamino)butanoyl]piperidin-4-yl]propanoate
CID 58751833
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 92711359
(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
CID 46230364
(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1S)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide
CID 11682301
(2R,3R)-2,3-dihydroxy-4-[(2S)-2-(4-methylcycloheptyl)pyrrolidin-1-yl]-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 143153799
1-ethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350551
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-N-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111493376

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane?
The IUPAC name of 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane (CID 143155568) is 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane.
What is the SMILES notation for 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane?
The canonical SMILES for 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane is CC.CC.O=C(NCCc1cccs1)C(O)C(O)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane?
The InChIKey is FLWPTLBKGIWIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S.2C2H6/c24-17(19(26)21-9-8-16-7-4-14-28-16)18(25)20(27)23-12-10-22(11-13-23)15-5-2-1-3-6-15;2*1-2/h1-7,14,17-18,24-25H,8-13H2,(H,21,26);2*1-2H3.
What are the key properties of 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane?
2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane has a molecular weight of 463.64 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane is sourced from PubChem (CID 143155568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).