2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide

C22H26N4O5S — CID 76630192

IUPAC2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide
SMILESCC(O)c1cnc(NC(=O)C(=NOC2CCCC2)c2ccc(S(=O)(=O)C3CC3)cc2)cn1
InChIInChI=1S/C22H26N4O5S/c1-14(27)19-12-24-20(13-23-19)25-22(28)21(26-31-16-4-2-3-5-16)15-6-8-17(9-7-15)32(29,30)18-10-11-18/h6-9,12-14,16,18,27H,2-5,10-11H2,1H3,(H,24,25,28)
InChIKeyMTUPMELXWKDQEA-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.77
Rot. Bonds8

About 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide

2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide (PubChem CID 76630192) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide
PubChem CID76630192
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide
SMILESCC(O)c1cnc(NC(=O)C(=NOC2CCCC2)c2ccc(S(=O)(=O)C3CC3)cc2)cn1
InChIInChI=1S/C22H26N4O5S/c1-14(27)19-12-24-20(13-23-19)25-22(28)21(26-31-16-4-2-3-5-16)15-6-8-17(9-7-15)32(29,30)18-10-11-18/h6-9,12-14,16,18,27H,2-5,10-11H2,1H3,(H,24,25,28)
InChIKeyMTUPMELXWKDQEA-UHFFFAOYSA-N
XLogP2.77
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
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-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-[3-(dimethylamino)prop-1-ynyl]pyrazin-2-yl]acetamide
CID 76631230
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-hydroxycyclohexyl)oxyiminoacetamide
CID 76630828
N-(5-bromo-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91242447
ethyl 3-[[2-[[2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoate
CID 76631248
N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide
CID 76630402
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-[methyl(propan-2-yl)amino]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90718435
2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-[[1-(2-methoxyacetyl)piperidin-4-yl]oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 76631364
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 90970313
2-(4-cyclobutylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90984512
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-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide
CID 91180641
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(diethylamino)ethyl-methylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91445812

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide?
The IUPAC name of 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide (CID 76630192) is 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide is CC(O)c1cnc(NC(=O)C(=NOC2CCCC2)c2ccc(S(=O)(=O)C3CC3)cc2)cn1.
What is the InChIKey of 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide?
The InChIKey is MTUPMELXWKDQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-14(27)19-12-24-20(13-23-19)25-22(28)21(26-31-16-4-2-3-5-16)15-6-8-17(9-7-15)32(29,30)18-10-11-18/h6-9,12-14,16,18,27H,2-5,10-11H2,1H3,(H,24,25,28).
What are the key properties of 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide?
2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide has a molecular weight of 458.54 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 76630192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).