N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

C16H22N4O3S2 — CID 56745733

IUPACN-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESCCc1cn[nH]c1C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-2-12-10-17-19-16(12)13-5-7-20(8-6-13)14(21)11-18-25(22,23)15-4-3-9-24-15/h3-4,9-10,13,18H,2,5-8,11H2,1H3,(H,17,19)
InChIKeyOHNQNAGFXPYQRG-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.72
Rot. Bonds6

About N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 56745733) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID56745733
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESCCc1cn[nH]c1C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-2-12-10-17-19-16(12)13-5-7-20(8-6-13)14(21)11-18-25(22,23)15-4-3-9-24-15/h3-4,9-10,13,18H,2,5-8,11H2,1H3,(H,17,19)
InChIKeyOHNQNAGFXPYQRG-UHFFFAOYSA-N
XLogP1.72
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (CID 56745733) is N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is CCc1cn[nH]c1C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is OHNQNAGFXPYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-2-12-10-17-19-16(12)13-5-7-20(8-6-13)14(21)11-18-25(22,23)15-4-3-9-24-15/h3-4,9-10,13,18H,2,5-8,11H2,1H3,(H,17,19).
What are the key properties of N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 382.51 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56745733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).