N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide

C20H25N3O5S — CID 55364470

IUPACN-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C20H25N3O5S/c1-3-11-28-15-9-8-14(13-16(15)27-2)19(25)23-22-18(24)7-4-10-21-20(26)17-6-5-12-29-17/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyGIVMRLKFBKEOBW-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.52
Rot. Bonds10

About N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 55364470) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID55364470
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C20H25N3O5S/c1-3-11-28-15-9-8-14(13-16(15)27-2)19(25)23-22-18(24)7-4-10-21-20(26)17-6-5-12-29-17/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyGIVMRLKFBKEOBW-UHFFFAOYSA-N
XLogP2.52
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
CID 30933321
3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55616585
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443132
3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
CID 9479373
[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 2544745
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55745271
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide (CID 55364470) is N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide is CCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is GIVMRLKFBKEOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-11-28-15-9-8-14(13-16(15)27-2)19(25)23-22-18(24)7-4-10-21-20(26)17-6-5-12-29-17/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 2.52, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 55364470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).