N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide

C19H21ClN2O2S — CID 35930229

IUPACN'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
SMILESCC(C)(C)c1ccc(SCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-19(2,3)13-8-10-14(11-9-13)25-12-17(23)21-22-18(24)15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYVYZNMPXSOBKRT-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.19
Rot. Bonds4

About N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide

N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide (PubChem CID 35930229) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
PubChem CID35930229
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
SMILESCC(C)(C)c1ccc(SCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-19(2,3)13-8-10-14(11-9-13)25-12-17(23)21-22-18(24)15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYVYZNMPXSOBKRT-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
2-chloro-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 4805905
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18285174
N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide
CID 9339375
N-(2-aminoethyl)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]benzamide;hydrochloride
CID 120603877
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
CID 4927487
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide (CID 35930229) is N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide is CC(C)(C)c1ccc(SCC(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide?
The InChIKey is YVYZNMPXSOBKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-19(2,3)13-8-10-14(11-9-13)25-12-17(23)21-22-18(24)15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide?
N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide has a molecular weight of 376.91 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 35930229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).