N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide

C17H15ClN2O3S — CID 55578936

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H15ClN2O3S/c18-13-2-4-14(5-3-13)24-10-16(21)19-20-17(22)12-1-6-15-11(9-12)7-8-23-15/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyQTHRAOGBWSPONT-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.83
Rot. Bonds4

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide (PubChem CID 55578936) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide
PubChem CID55578936
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H15ClN2O3S/c18-13-2-4-14(5-3-13)24-10-16(21)19-20-17(22)12-1-6-15-11(9-12)7-8-23-15/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyQTHRAOGBWSPONT-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.83
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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 2606684
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 31727289
N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 78851667
4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
2-chloro-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 4805905
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-ethylbenzotriazole-5-carbohydrazide
CID 26854171
N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 46581863
N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55787522
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
CID 9011913

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide (CID 55578936) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide is O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The InChIKey is QTHRAOGBWSPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-13-2-4-14(5-3-13)24-10-16(21)19-20-17(22)12-1-6-15-11(9-12)7-8-23-15/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide has a molecular weight of 362.84 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide is sourced from PubChem (CID 55578936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).