2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide

C19H22FN3O6S2 — CID 91180641

IUPAC2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide
SMILESCOCO[C@@H](C)CON=C(C(=O)Nc1ncc(F)s1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C19H22FN3O6S2/c1-12(28-11-27-2)10-29-23-17(18(24)22-19-21-9-16(20)30-19)13-3-5-14(6-4-13)31(25,26)15-7-8-15/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,22,24)/t12-/m0/s1
InChIKeySDXNNVCLAYIREP-LBPRGKRZSA-N
MW471.53 g/mol
LogP2.59
Rot. Bonds11

About 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide

2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide (PubChem CID 91180641) has the molecular formula C19H22FN3O6S2 and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide
PubChem CID91180641
Molecular FormulaC19H22FN3O6S2
Molecular Weight471.53 g/mol
Exact Mass471.09
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide
SMILESCOCO[C@@H](C)CON=C(C(=O)Nc1ncc(F)s1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C19H22FN3O6S2/c1-12(28-11-27-2)10-29-23-17(18(24)22-19-21-9-16(20)30-19)13-3-5-14(6-4-13)31(25,26)15-7-8-15/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,22,24)/t12-/m0/s1
InChIKeySDXNNVCLAYIREP-LBPRGKRZSA-N
XLogP2.59
TPSA116.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[(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-(4-hydroxycyclohexyl)oxyiminoacetamide
CID 76630828
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
CID 76630698
2-(4-cyclopropylsulfonylphenyl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-(1-pyrimidin-2-ylethoxyimino)acetamide
CID 76630183
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-(3-hydroxypropoxyimino)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 172965442
2-(4-cyclobutylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90984512
2-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetamide
CID 91606387
2-[(1R,3R)-3-ethoxycyclopentyl]oxyimino-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide
CID 90733237
(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide
CID 143392836
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(pyridin-2-ylmethoxyimino)acetamide
CID 76630526
N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-(pyridin-2-ylmethoxyimino)acetamide
CID 91033963
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91239224

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide (CID 91180641) is 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide is COCO[C@@H](C)CON=C(C(=O)Nc1ncc(F)s1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide?
The InChIKey is SDXNNVCLAYIREP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22FN3O6S2/c1-12(28-11-27-2)10-29-23-17(18(24)22-19-21-9-16(20)30-19)13-3-5-14(6-4-13)31(25,26)15-7-8-15/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,22,24)/t12-/m0/s1.
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide?
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide has a molecular weight of 471.53 g/mol, XLogP of 2.59, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide is sourced from PubChem (CID 91180641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).