N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide

C19H24N4O4S — CID 3150874

IUPACN-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide
SMILESCNC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N4O4S/c1-20-18(24)19(25)21-8-9-22-10-12-23(13-11-22)28(26,27)17-7-6-15-4-2-3-5-16(15)14-17/h2-7,14H,8-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyQMDVFIKJEYFFLT-UHFFFAOYSA-N
MW404.49 g/mol
LogP0.01
Rot. Bonds5

About N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide

N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide (PubChem CID 3150874) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide
PubChem CID3150874
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide
SMILESCNC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N4O4S/c1-20-18(24)19(25)21-8-9-22-10-12-23(13-11-22)28(26,27)17-7-6-15-4-2-3-5-16(15)14-17/h2-7,14H,8-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyQMDVFIKJEYFFLT-UHFFFAOYSA-N
XLogP0.01
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 8692259
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8692265
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-naphthalen-2-ylsulfonyl-4-(thiophen-2-ylmethyl)piperazine;oxalic acid
CID 90481345
3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 46518188
ethyl N-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 55644361

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide (CID 3150874) is N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide is CNC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is QMDVFIKJEYFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-20-18(24)19(25)21-8-9-22-10-12-23(13-11-22)28(26,27)17-7-6-15-4-2-3-5-16(15)14-17/h2-7,14H,8-13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide?
N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 404.49 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 3150874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).