N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide

C17H19N3O3S2 — CID 3528114

IUPACN-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccs1
InChIInChI=1S/C17H19N3O3S2/c1-11(2)12-6-3-4-7-13(12)23-10-15(21)19-20-17(24)18-16(22)14-8-5-9-25-14/h3-9,11H,10H2,1-2H3,(H,19,21)(H2,18,20,22,24)
InChIKeyZFYCAIYWLOTJFU-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.59
Rot. Bonds5

About N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide

N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide (PubChem CID 3528114) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide
PubChem CID3528114
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccs1
InChIInChI=1S/C17H19N3O3S2/c1-11(2)12-6-3-4-7-13(12)23-10-15(21)19-20-17(24)18-16(22)14-8-5-9-25-14/h3-9,11H,10H2,1-2H3,(H,19,21)(H2,18,20,22,24)
InChIKeyZFYCAIYWLOTJFU-UHFFFAOYSA-N
XLogP2.59
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
3-bromo-4-methyl-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3528224
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
CID 3327759
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
2-ethoxy-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4927101
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17074348
2-(4-bromo-2-methylphenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
CID 3491325
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479375

Frequently Asked Questions

What is the IUPAC name of N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide (CID 3528114) is N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide is CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is ZFYCAIYWLOTJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-11(2)12-6-3-4-7-13(12)23-10-15(21)19-20-17(24)18-16(22)14-8-5-9-25-14/h3-9,11H,10H2,1-2H3,(H,19,21)(H2,18,20,22,24).
What are the key properties of N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide?
N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 3528114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).