N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide

C24H34N4O5S — CID 67629900

IUPACN-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide
SMILESCCCCCCOCCOCCNC(=O)c1ccc(CNC(=O)c2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C24H34N4O5S/c1-2-3-4-5-13-32-15-16-33-14-12-26-22(29)19-8-6-18(7-9-19)17-27-23(30)20-10-11-21(34-20)24(31)28-25/h6-11H,2-5,12-17,25H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyGMPRCBCYUWPBEB-UHFFFAOYSA-N
MW490.63 g/mol
LogP2.62
Rot. Bonds16

About N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide

N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide (PubChem CID 67629900) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide
PubChem CID67629900
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC NameN-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide
SMILESCCCCCCOCCOCCNC(=O)c1ccc(CNC(=O)c2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C24H34N4O5S/c1-2-3-4-5-13-32-15-16-33-14-12-26-22(29)19-8-6-18(7-9-19)17-27-23(30)20-10-11-21(34-20)24(31)28-25/h6-11H,2-5,12-17,25H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyGMPRCBCYUWPBEB-UHFFFAOYSA-N
XLogP2.62
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
CID 90338093
N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
CID 157074659
4-[[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111693121
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 166949496
N-[9-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]nonyl]thiophene-3-carboxamide
CID 171471382
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide?
The IUPAC name of N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide (CID 67629900) is N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide is CCCCCCOCCOCCNC(=O)c1ccc(CNC(=O)c2ccc(C(=O)NN)s2)cc1.
What is the InChIKey of N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide?
The InChIKey is GMPRCBCYUWPBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-2-3-4-5-13-32-15-16-33-14-12-26-22(29)19-8-6-18(7-9-19)17-27-23(30)20-10-11-21(34-20)24(31)28-25/h6-11H,2-5,12-17,25H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide?
N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 2.62, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide is sourced from PubChem (CID 67629900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).