2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide

C20H23N3O3S2 — CID 122244459

IUPAC2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC(c2ccsc2)n2cccn2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(2)28(25,26)18-6-4-16(5-7-18)12-20(24)21-13-19(17-8-11-27-14-17)23-10-3-9-22-23/h3-11,14-15,19H,12-13H2,1-2H3,(H,21,24)
InChIKeyACEVDTVSQQQFQD-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.08
Rot. Bonds8

About 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide

2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 122244459) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID122244459
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC(c2ccsc2)n2cccn2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(2)28(25,26)18-6-4-16(5-7-18)12-20(24)21-13-19(17-8-11-27-14-17)23-10-3-9-22-23/h3-11,14-15,19H,12-13H2,1-2H3,(H,21,24)
InChIKeyACEVDTVSQQQFQD-UHFFFAOYSA-N
XLogP3.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122161450
4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 126852795
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
CID 122161477
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide
CID 16931437
2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161499
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide
CID 126852802
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 122161523
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide (CID 122244459) is 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCC(c2ccsc2)n2cccn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is ACEVDTVSQQQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-15(2)28(25,26)18-6-4-16(5-7-18)12-20(24)21-13-19(17-8-11-27-14-17)23-10-3-9-22-23/h3-11,14-15,19H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 417.56 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 122244459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).