2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide

C20H22N4O5S2 — CID 76631216

IUPAC2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=NOCCN1CCCC1=O)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H22N4O5S2/c25-17-2-1-10-24(17)11-12-29-23-18(19(26)22-20-21-9-13-30-20)14-3-5-15(6-4-14)31(27,28)16-7-8-16/h3-6,9,13,16H,1-2,7-8,10-12H2,(H,21,22,26)
InChIKeyIKXYOLKSNHGGMZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.06
Rot. Bonds9

About 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide

2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 76631216) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID76631216
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=NOCCN1CCCC1=O)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H22N4O5S2/c25-17-2-1-10-24(17)11-12-29-23-18(19(26)22-20-21-9-13-30-20)14-3-5-15(6-4-14)31(27,28)16-7-8-16/h3-6,9,13,16H,1-2,7-8,10-12H2,(H,21,22,26)
InChIKeyIKXYOLKSNHGGMZ-UHFFFAOYSA-N
XLogP2.06
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide
CID 76630210
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-2-oxooxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 91570363
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 90970313
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
CID 76630698
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-(3-hydroxypropoxyimino)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 172965442
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-[cyclopropen-1-yl(dihydroxy)-λ4-sulfanyl]phenyl]-2-[(2R)-1-hydroxypropan-2-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 123739944
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
2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide
CID 90952340
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
(2E)-2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(3-hydroxypropoxyimino)acetamide
CID 24999981
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(3-hydroxypropoxyimino)acetamide
CID 74384019

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide (CID 76631216) is 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(=NOCCN1CCCC1=O)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IKXYOLKSNHGGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c25-17-2-1-10-24(17)11-12-29-23-18(19(26)22-20-21-9-13-30-20)14-3-5-15(6-4-14)31(27,28)16-7-8-16/h3-6,9,13,16H,1-2,7-8,10-12H2,(H,21,22,26).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide?
2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 76631216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).