3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide

C18H19N3O3S2 — CID 86266374

IUPAC3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C18H19N3O3S2/c22-18(8-13-26(23,24)16-4-2-1-3-5-16)19-9-11-21-10-6-17(20-21)15-7-12-25-14-15/h1-7,10,12,14H,8-9,11,13H2,(H,19,22)
InChIKeyVGLBXQKHDVPDGE-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.59
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide (PubChem CID 86266374) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide
PubChem CID86266374
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C18H19N3O3S2/c22-18(8-13-26(23,24)16-4-2-1-3-5-16)19-9-11-21-10-6-17(20-21)15-7-12-25-14-15/h1-7,10,12,14H,8-9,11,13H2,(H,19,22)
InChIKeyVGLBXQKHDVPDGE-UHFFFAOYSA-N
XLogP2.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide (CID 86266374) is 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is VGLBXQKHDVPDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-18(8-13-26(23,24)16-4-2-1-3-5-16)19-9-11-21-10-6-17(20-21)15-7-12-25-14-15/h1-7,10,12,14H,8-9,11,13H2,(H,19,22).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 86266374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).