1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone

C22H25N3O3S2 — CID 112769581

IUPAC1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone
SMILESCC(NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccs1
InChIInChI=1S/C22H25N3O3S2/c1-17(21-7-4-14-29-21)23-16-22(26)24-10-12-25(13-11-24)30(27,28)20-9-8-18-5-2-3-6-19(18)15-20/h2-9,14-15,17,23H,10-13,16H2,1H3
InChIKeyWYAPDCNRTCODHD-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone

1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone (PubChem CID 112769581) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone.

Molecular Properties

Compound Name1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone
PubChem CID112769581
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone
SMILESCC(NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccs1
InChIInChI=1S/C22H25N3O3S2/c1-17(21-7-4-14-29-21)23-16-22(26)24-10-12-25(13-11-24)30(27,28)20-9-8-18-5-2-3-6-19(18)15-20/h2-9,14-15,17,23H,10-13,16H2,1H3
InChIKeyWYAPDCNRTCODHD-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769582
[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 71905138
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 17461875
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 9113402
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 41170115
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
(2R)-1-(azepan-1-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 9493876
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone
CID 55861422

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone?
The IUPAC name of 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone (CID 112769581) is 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone.
What is the SMILES notation for 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone?
The canonical SMILES for 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone is CC(NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccs1.
What is the InChIKey of 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone?
The InChIKey is WYAPDCNRTCODHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-17(21-7-4-14-29-21)23-16-22(26)24-10-12-25(13-11-24)30(27,28)20-9-8-18-5-2-3-6-19(18)15-20/h2-9,14-15,17,23H,10-13,16H2,1H3.
What are the key properties of 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone?
1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone has a molecular weight of 443.59 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone is sourced from PubChem (CID 112769581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).