N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

C19H18FN3O3S — CID 9157257

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H18FN3O3S/c20-15-7-1-2-8-16(15)27-12-17(24)21-22-19(26)13-5-3-6-14(11-13)23-10-4-9-18(23)25/h1-3,5-8,11H,4,9-10,12H2,(H,21,24)(H,22,26)
InChIKeyAHCKKCOIXYNVAD-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.51
Rot. Bonds5

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (PubChem CID 9157257) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
PubChem CID9157257
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H18FN3O3S/c20-15-7-1-2-8-16(15)27-12-17(24)21-22-19(26)13-5-3-6-14(11-13)23-10-4-9-18(23)25/h1-3,5-8,11H,4,9-10,12H2,(H,21,24)(H,22,26)
InChIKeyAHCKKCOIXYNVAD-UHFFFAOYSA-N
XLogP2.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.51
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

2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 120604401
N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55908681
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110409978
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (CID 9157257) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The InChIKey is AHCKKCOIXYNVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-15-7-1-2-8-16(15)27-12-17(24)21-22-19(26)13-5-3-6-14(11-13)23-10-4-9-18(23)25/h1-3,5-8,11H,4,9-10,12H2,(H,21,24)(H,22,26).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide has a molecular weight of 387.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is sourced from PubChem (CID 9157257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).