5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide

C19H28ClN3O3S — CID 56550200

IUPAC5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O3S/c1-3-12-23(13-4-2)19(26)7-5-6-17(24)21-22-18(25)14-27-16-10-8-15(20)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySZTTZEIDWVITSE-UHFFFAOYSA-N
MW413.97 g/mol
LogP3.40
Rot. Bonds11

About 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide

5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide (PubChem CID 56550200) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide.

Molecular Properties

Compound Name5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
PubChem CID56550200
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC Name5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O3S/c1-3-12-23(13-4-2)19(26)7-5-6-17(24)21-22-18(25)14-27-16-10-8-15(20)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySZTTZEIDWVITSE-UHFFFAOYSA-N
XLogP3.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 53.40
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-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
3-[(4-chlorophenyl)methylsulfanyl]-N,N-dipropylpropanamide
CID 118680080
1-(4-chlorophenyl)sulfanylpentan-2-one
CID 62041671
2-(4-chlorophenyl)sulfanyl-N-(heptan-4-ylideneamino)acetamide
CID 7241820
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26854197
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 34056452
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide
CID 56552307

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The IUPAC name of 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide (CID 56550200) is 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide.
What is the SMILES notation for 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The canonical SMILES for 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide is CCCN(CCC)C(=O)CCCC(=O)NNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
The InChIKey is SZTTZEIDWVITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c1-3-12-23(13-4-2)19(26)7-5-6-17(24)21-22-18(25)14-27-16-10-8-15(20)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide?
5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide has a molecular weight of 413.97 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide is sourced from PubChem (CID 56550200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).