2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide

C23H25N3O4S2 — CID 41229166

IUPAC2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-17(24-21(27)16-19-8-4-7-18-6-2-3-9-20(18)19)23(28)25-11-13-26(14-12-25)32(29,30)22-10-5-15-31-22/h2-10,15,17H,11-14,16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyCRYGYOWHMQNXKA-QGZVFWFLSA-N
MW471.60 g/mol
LogP2.48
Rot. Bonds6

About 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide

2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide (PubChem CID 41229166) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide
PubChem CID41229166
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-17(24-21(27)16-19-8-4-7-18-6-2-3-9-20(18)19)23(28)25-11-13-26(14-12-25)32(29,30)22-10-5-15-31-22/h2-10,15,17H,11-14,16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyCRYGYOWHMQNXKA-QGZVFWFLSA-N
XLogP2.48
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 51968328
N-[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 2549935
N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544966
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
(3R)-3-methyl-5-oxo-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pentanoic acid
CID 40636083
N-[(2S)-1-(4-benzoylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 41235170
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655772
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide
CID 8924431
1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid
CID 19506326
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide (CID 41229166) is 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide is C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide?
The InChIKey is CRYGYOWHMQNXKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-17(24-21(27)16-19-8-4-7-18-6-2-3-9-20(18)19)23(28)25-11-13-26(14-12-25)32(29,30)22-10-5-15-31-22/h2-10,15,17H,11-14,16H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide?
2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide has a molecular weight of 471.60 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 41229166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).