N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide

C23H22ClN3O4S — CID 30458940

IUPACN-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)CCNC(=O)c3ccsc3)cc2)ccc1Cl
InChIInChI=1S/C23H22ClN3O4S/c1-15-12-19(6-7-20(15)24)31-13-16-2-4-17(5-3-16)23(30)27-26-21(28)8-10-25-22(29)18-9-11-32-14-18/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyQFYNDLPXRYWJFV-UHFFFAOYSA-N
MW471.97 g/mol
LogP3.87
Rot. Bonds8

About N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 30458940) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID30458940
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)CCNC(=O)c3ccsc3)cc2)ccc1Cl
InChIInChI=1S/C23H22ClN3O4S/c1-15-12-19(6-7-20(15)24)31-13-16-2-4-17(5-3-16)23(30)27-26-21(28)8-10-25-22(29)18-9-11-32-14-18/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyQFYNDLPXRYWJFV-UHFFFAOYSA-N
XLogP3.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-(2-methoxyethyl)thiourea
CID 8626240
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 18289024
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19295521
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-cyclopropylthiourea
CID 8626251
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
4-[(4-chloro-3-methylphenoxy)methyl]-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135991431
N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24819773
N-[1-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24658052
N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31322107
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55756044
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (CID 30458940) is N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is Cc1cc(OCc2ccc(C(=O)NNC(=O)CCNC(=O)c3ccsc3)cc2)ccc1Cl.
What is the InChIKey of N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is QFYNDLPXRYWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-15-12-19(6-7-20(15)24)31-13-16-2-4-17(5-3-16)23(30)27-26-21(28)8-10-25-22(29)18-9-11-32-14-18/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 471.97 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 30458940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).