2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide

C20H18N4O4S2 — CID 76630210

IUPAC2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=NOCc1cccnc1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H18N4O4S2/c25-19(23-20-22-10-11-29-20)18(24-28-13-14-2-1-9-21-12-14)15-3-5-16(6-4-15)30(26,27)17-7-8-17/h1-6,9-12,17H,7-8,13H2,(H,22,23,25)
InChIKeyOBYAPBUBFHQJFZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.03
Rot. Bonds8

About 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide

2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 76630210) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID76630210
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=NOCc1cccnc1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H18N4O4S2/c25-19(23-20-22-10-11-29-20)18(24-28-13-14-2-1-9-21-12-14)15-3-5-16(6-4-15)30(26,27)17-7-8-17/h1-6,9-12,17H,7-8,13H2,(H,22,23,25)
InChIKeyOBYAPBUBFHQJFZ-UHFFFAOYSA-N
XLogP3.03
TPSA110.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide
CID 76631216
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 90970313
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-2-oxooxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 91570363
2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
CID 76631258
2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-methylazetidin-3-yl)oxy-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 76630602
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
CID 76630698
N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-(1,3-thiazol-2-ylmethoxyimino)acetamide
CID 91344518
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 76630653
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-(3-hydroxypropoxyimino)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 172965442
2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-2-(methoxymethoxy)propoxy]imino-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 90906287
2-(4-cyclopropylsulfonylphenyl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-(1-pyrimidin-2-ylethoxyimino)acetamide
CID 76630183
2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide
CID 90952340

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide (CID 76630210) is 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(=NOCc1cccnc1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OBYAPBUBFHQJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c25-19(23-20-22-10-11-29-20)18(24-28-13-14-2-1-9-21-12-14)15-3-5-16(6-4-15)30(26,27)17-7-8-17/h1-6,9-12,17H,7-8,13H2,(H,22,23,25).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 76630210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).