2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid

C15H14N2O4S — CID 9176423

IUPAC2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N/NC(=O)c1cccs1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-10(16-17-15(20)13-3-2-8-22-13)11-4-6-12(7-5-11)21-9-14(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19)/b16-10-
InChIKeySGWLEIFTSMRFBE-YBEGLDIGSA-N
MW318.35 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid

2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid (PubChem CID 9176423) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
PubChem CID9176423
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N/NC(=O)c1cccs1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-10(16-17-15(20)13-3-2-8-22-13)11-4-6-12(7-5-11)21-9-14(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19)/b16-10-
InChIKeySGWLEIFTSMRFBE-YBEGLDIGSA-N
XLogP2.37
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9232127
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6377891
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
CID 3638697
2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 4564846
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
N-[4-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4575514
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid (CID 9176423) is 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid is C/C(=N/NC(=O)c1cccs1)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
The InChIKey is SGWLEIFTSMRFBE-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10(16-17-15(20)13-3-2-8-22-13)11-4-6-12(7-5-11)21-9-14(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19)/b16-10-.
What are the key properties of 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid is sourced from PubChem (CID 9176423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).