N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C14H17N5O3S2 — CID 22583185

IUPACN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O3S2/c20-12(11-17-24(21,22)13-3-1-10-23-13)18-6-8-19(9-7-18)14-15-4-2-5-16-14/h1-5,10,17H,6-9,11H2
InChIKeyCOZMYLLSXJRGMO-UHFFFAOYSA-N
MW367.46 g/mol
LogP0.17
Rot. Bonds5

About N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 22583185) has the molecular formula C14H17N5O3S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID22583185
Molecular FormulaC14H17N5O3S2
Molecular Weight367.46 g/mol
Exact Mass367.08
IUPAC NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O3S2/c20-12(11-17-24(21,22)13-3-1-10-23-13)18-6-8-19(9-7-18)14-15-4-2-5-16-14/h1-5,10,17H,6-9,11H2
InChIKeyCOZMYLLSXJRGMO-UHFFFAOYSA-N
XLogP0.17
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 112991880
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065293
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994726
N-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119423527
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 112994685
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15995658
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120658921

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 22583185) is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is COZMYLLSXJRGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S2/c20-12(11-17-24(21,22)13-3-1-10-23-13)18-6-8-19(9-7-18)14-15-4-2-5-16-14/h1-5,10,17H,6-9,11H2.
What are the key properties of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 367.46 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22583185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).