N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide

C24H18N4O5S2 — CID 2204112

IUPACN'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C24H18N4O5S2/c29-21(25-27-23(31)19-3-1-13-34-19)15-5-9-17(10-6-15)33-18-11-7-16(8-12-18)22(30)26-28-24(32)20-4-2-14-35-20/h1-14H,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyDFIPBCLHBFTMJT-UHFFFAOYSA-N
MW506.57 g/mol
LogP3.75
Rot. Bonds6

About N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide

N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide (PubChem CID 2204112) has the molecular formula C24H18N4O5S2 and a molecular weight of 506.57 g/mol. Its IUPAC name is N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
PubChem CID2204112
Molecular FormulaC24H18N4O5S2
Molecular Weight506.57 g/mol
Exact Mass506.07
IUPAC NameN'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C24H18N4O5S2/c29-21(25-27-23(31)19-3-1-13-34-19)15-5-9-17(10-6-15)33-18-11-7-16(8-12-18)22(30)26-28-24(32)20-4-2-14-35-20/h1-14H,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyDFIPBCLHBFTMJT-UHFFFAOYSA-N
XLogP3.75
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24554534
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
6-methoxy-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 27018409
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide (CID 2204112) is N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide is O=C(NNC(=O)c1cccs1)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide?
The InChIKey is DFIPBCLHBFTMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5S2/c29-21(25-27-23(31)19-3-1-13-34-19)15-5-9-17(10-6-15)33-18-11-7-16(8-12-18)22(30)26-28-24(32)20-4-2-14-35-20/h1-14H,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide?
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide has a molecular weight of 506.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 2204112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).