N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide

C19H22ClN3O2S — CID 7434037

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2S/c1-3-23(4-2)16-9-5-14(6-10-16)19(25)22-21-18(24)13-26-17-11-7-15(20)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMPPAQWWZPBIZBT-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.74
Rot. Bonds7

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide (PubChem CID 7434037) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
PubChem CID7434037
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2S/c1-3-23(4-2)16-9-5-14(6-10-16)19(25)22-21-18(24)13-26-17-11-7-15(20)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMPPAQWWZPBIZBT-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.74
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

4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7434268
2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 1298372
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-ethylbenzotriazole-5-carbohydrazide
CID 26854171
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 55578936
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7433204

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide (CID 7434037) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide?
The InChIKey is MPPAQWWZPBIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-3-23(4-2)16-9-5-14(6-10-16)19(25)22-21-18(24)13-26-17-11-7-15(20)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide has a molecular weight of 391.92 g/mol, XLogP of 3.74, 7 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]-4-(diethylamino)benzohydrazide is sourced from PubChem (CID 7434037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).