N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C20H25N3O4S2 — CID 32771155

IUPACN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H25N3O4S2/c1-3-16-6-8-17(9-7-16)20(25)23-12-10-22(11-13-23)18(24)15-21(2)29(26,27)19-5-4-14-28-19/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyHBWHLVQHZVSKOU-UHFFFAOYSA-N
MW435.57 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 32771155) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID32771155
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC NameN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H25N3O4S2/c1-3-16-6-8-17(9-7-16)20(25)23-12-10-22(11-13-23)18(24)15-21(2)29(26,27)19-5-4-14-28-19/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyHBWHLVQHZVSKOU-UHFFFAOYSA-N
XLogP1.92
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55586201
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 55747131
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55483623
N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 9169589
N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 9167729
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528
N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27809860
N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide
CID 55429208
N-methyl-N-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 56551599
N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
CID 2992743
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 32771155) is N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CCc1ccc(C(=O)N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is HBWHLVQHZVSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-3-16-6-8-17(9-7-16)20(25)23-12-10-22(11-13-23)18(24)15-21(2)29(26,27)19-5-4-14-28-19/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 435.57 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 32771155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).