N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide

C17H18ClN3O5S2 — CID 76630698

IUPACN-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
SMILESCOCCON=C(C(=O)Nc1ncc(Cl)s1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C17H18ClN3O5S2/c1-25-8-9-26-21-15(16(22)20-17-19-10-14(18)27-17)11-2-4-12(5-3-11)28(23,24)13-6-7-13/h2-5,10,13H,6-9H2,1H3,(H,19,20,22)
InChIKeyHWQJVDCFBXBHRP-UHFFFAOYSA-N
MW443.93 g/mol
LogP2.74
Rot. Bonds9

About N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide

N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide (PubChem CID 76630698) has the molecular formula C17H18ClN3O5S2 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
PubChem CID76630698
Molecular FormulaC17H18ClN3O5S2
Molecular Weight443.93 g/mol
Exact Mass443.04
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
SMILESCOCCON=C(C(=O)Nc1ncc(Cl)s1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C17H18ClN3O5S2/c1-25-8-9-26-21-15(16(22)20-17-19-10-14(18)27-17)11-2-4-12(5-3-11)28(23,24)13-6-7-13/h2-5,10,13H,6-9H2,1H3,(H,19,20,22)
InChIKeyHWQJVDCFBXBHRP-UHFFFAOYSA-N
XLogP2.74
TPSA106.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 52.74
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

(2E)-2-(4-cyclopropylsulfonylphenyl)-2-(3-hydroxypropoxyimino)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 172965442
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide
CID 91180641
2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-2-(methoxymethoxy)propoxy]imino-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 90906287
N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide
CID 76630402
2-(4-cyclopropylsulfonylphenyl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-(1-pyrimidin-2-ylethoxyimino)acetamide
CID 76630183
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-2-(oxan-4-yloxyimino)acetamide
CID 76631393
(5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate
CID 91279699
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-hydroxycyclohexyl)oxyiminoacetamide
CID 76630828
2-(4-cyclopropylsulfonylphenyl)-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-pyrazol-5-ylmethoxyimino)acetamide
CID 90903845
N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-(pyridin-2-ylmethoxyimino)acetamide
CID 91033963
(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 N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide (CID 76630698) is N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide is COCCON=C(C(=O)Nc1ncc(Cl)s1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide?
The InChIKey is HWQJVDCFBXBHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S2/c1-25-8-9-26-21-15(16(22)20-17-19-10-14(18)27-17)11-2-4-12(5-3-11)28(23,24)13-6-7-13/h2-5,10,13H,6-9H2,1H3,(H,19,20,22).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide?
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide has a molecular weight of 443.93 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide is sourced from PubChem (CID 76630698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).