N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C19H18N4O5S — CID 9297274

IUPACN-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1c(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)oc2ccccc12
InChIInChI=1S/C19H18N4O5S/c1-11-12-5-2-3-6-13(12)28-17(11)19(27)23-22-16(25)10-20-15(24)9-21-18(26)14-7-4-8-29-14/h2-8H,9-10H2,1H3,(H,20,24)(H,21,26)(H,22,25)(H,23,27)
InChIKeyQDFJWFMNVNJGAF-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.11
Rot. Bonds6

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

N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9297274) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9297274
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1c(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)oc2ccccc12
InChIInChI=1S/C19H18N4O5S/c1-11-12-5-2-3-6-13(12)28-17(11)19(27)23-22-16(25)10-20-15(24)9-21-18(26)14-7-4-8-29-14/h2-8H,9-10H2,1H3,(H,20,24)(H,21,26)(H,22,25)(H,23,27)
InChIKeyQDFJWFMNVNJGAF-UHFFFAOYSA-N
XLogP1.11
TPSA129.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158543
N-[4-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 27685590
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 26072070
5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704480
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 9297274) is N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1c(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)oc2ccccc12.
What is the InChIKey of N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is QDFJWFMNVNJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-11-12-5-2-3-6-13(12)28-17(11)19(27)23-22-16(25)10-20-15(24)9-21-18(26)14-7-4-8-29-14/h2-8H,9-10H2,1H3,(H,20,24)(H,21,26)(H,22,25)(H,23,27).
What are the key properties of N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9297274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).