2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

C19H20ClN3O3S — CID 18285174

IUPAC2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(SCC(=O)NNC(=O)C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-12-7-9-14(10-8-12)27-11-17(24)22-23-18(25)13(2)21-19(26)15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRSDMYFCXDZLCHG-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.71
Rot. Bonds6

About 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 18285174) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID18285174
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(SCC(=O)NNC(=O)C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-12-7-9-14(10-8-12)27-11-17(24)22-23-18(25)13(2)21-19(26)15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRSDMYFCXDZLCHG-UHFFFAOYSA-N
XLogP2.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.71
H-Bond Donors ≤ 53
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-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
CID 35930229
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 30131687
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9375775
2-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9339469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 18285174) is 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is Cc1ccc(SCC(=O)NNC(=O)C(C)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is RSDMYFCXDZLCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-12-7-9-14(10-8-12)27-11-17(24)22-23-18(25)13(2)21-19(26)15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 405.91 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 18285174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).