N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide

C20H15FN2O3S — CID 31725309

IUPACN'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H15FN2O3S/c21-14-7-5-12(6-8-14)9-18(24)22-23-20(25)17-10-13-11-26-16-4-2-1-3-15(16)19(13)27-17/h1-8,10H,9,11H2,(H,22,24)(H,23,25)
InChIKeyOMXUADJDYMLQDS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.45
Rot. Bonds3

About N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide

N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide (PubChem CID 31725309) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
PubChem CID31725309
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H15FN2O3S/c21-14-7-5-12(6-8-14)9-18(24)22-23-20(25)17-10-13-11-26-16-4-2-1-3-15(16)19(13)27-17/h1-8,10H,9,11H2,(H,22,24)(H,23,25)
InChIKeyOMXUADJDYMLQDS-UHFFFAOYSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenyl)acetyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 46656887
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253215
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 17446228
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 60517158
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide (CID 31725309) is N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The InChIKey is OMXUADJDYMLQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-14-7-5-12(6-8-14)9-18(24)22-23-20(25)17-10-13-11-26-16-4-2-1-3-15(16)19(13)27-17/h1-8,10H,9,11H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide has a molecular weight of 382.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide is sourced from PubChem (CID 31725309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).