(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide

C15H17N3O3S — CID 43811524

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccccc1NC(=O)C(Cc1cccs1)/C(N)=N/O
InChIInChI=1S/C15H17N3O3S/c1-21-13-7-3-2-6-12(13)17-15(19)11(14(16)18-20)9-10-5-4-8-22-10/h2-8,11,20H,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyWRWQMLNYQGCYDF-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.30
Rot. Bonds6

About (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide (PubChem CID 43811524) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide
PubChem CID43811524
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccccc1NC(=O)C(Cc1cccs1)/C(N)=N/O
InChIInChI=1S/C15H17N3O3S/c1-21-13-7-3-2-6-12(13)17-15(19)11(14(16)18-20)9-10-5-4-8-22-10/h2-8,11,20H,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyWRWQMLNYQGCYDF-UHFFFAOYSA-N
XLogP2.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,5-dimethylphenyl)-3-hydroxyimino-2-(thiophen-2-ylmethyl)propanamide
CID 3171661
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506121
(2R)-N-(2-methoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8720804
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013
methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 154720937
(2R)-N-(2-methoxyphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7360202
(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 863429

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide (CID 43811524) is (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide is COc1ccccc1NC(=O)C(Cc1cccs1)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide?
The InChIKey is WRWQMLNYQGCYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-21-13-7-3-2-6-12(13)17-15(19)11(14(16)18-20)9-10-5-4-8-22-10/h2-8,11,20H,9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide has a molecular weight of 319.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 43811524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).