N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide

C19H19N3O4S — CID 27685590

IUPACN-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
SMILESCc1c(C(=O)NNC(=O)CCCNC(=O)c2ccsc2)oc2ccccc12
InChIInChI=1S/C19H19N3O4S/c1-12-14-5-2-3-6-15(14)26-17(12)19(25)22-21-16(23)7-4-9-20-18(24)13-8-10-27-11-13/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyYQLVCXRTGKBHLU-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.77
Rot. Bonds6

About N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 27685590) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID27685590
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
SMILESCc1c(C(=O)NNC(=O)CCCNC(=O)c2ccsc2)oc2ccccc12
InChIInChI=1S/C19H19N3O4S/c1-12-14-5-2-3-6-15(14)26-17(12)19(25)22-21-16(23)7-4-9-20-18(24)13-8-10-27-11-13/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyYQLVCXRTGKBHLU-UHFFFAOYSA-N
XLogP2.77
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9297274
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 167848019
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 34573533

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide (CID 27685590) is N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide is Cc1c(C(=O)NNC(=O)CCCNC(=O)c2ccsc2)oc2ccccc12.
What is the InChIKey of N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is YQLVCXRTGKBHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-14-5-2-3-6-15(14)26-17(12)19(25)22-21-16(23)7-4-9-20-18(24)13-8-10-27-11-13/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 27685590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).