N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H24N4O4S2 — CID 170699625

IUPACN-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCn1c(=O)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C
InChIInChI=1S/C17H24N4O4S2/c1-4-21-17(23)15(12(2)19(21)3)18-16(22)13-7-9-20(10-8-13)27(24,25)14-6-5-11-26-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,22)
InChIKeyZWMYEQLHPYGZLH-UHFFFAOYSA-N
MW412.54 g/mol
LogP1.62
Rot. Bonds5

About N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 170699625) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID170699625
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC NameN-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCn1c(=O)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C
InChIInChI=1S/C17H24N4O4S2/c1-4-21-17(23)15(12(2)19(21)3)18-16(22)13-7-9-20(10-8-13)27(24,25)14-6-5-11-26-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,22)
InChIKeyZWMYEQLHPYGZLH-UHFFFAOYSA-N
XLogP1.62
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802295
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 41100010
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 170699625) is N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCn1c(=O)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C.
What is the InChIKey of N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZWMYEQLHPYGZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-4-21-17(23)15(12(2)19(21)3)18-16(22)13-7-9-20(10-8-13)27(24,25)14-6-5-11-26-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,22).
What are the key properties of N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 170699625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).