N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide

C18H20N2O2S — CID 4787769

IUPACN'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide
SMILESO=C(CCCSc1ccccc1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O2S/c21-17(12-7-13-23-16-10-5-2-6-11-16)19-20-18(22)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,19,21)(H,20,22)
InChIKeyDAGXHFGVQQIRQB-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.95
Rot. Bonds7

About N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide

N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide (PubChem CID 4787769) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide.

Molecular Properties

Compound NameN'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide
PubChem CID4787769
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide
SMILESO=C(CCCSc1ccccc1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O2S/c21-17(12-7-13-23-16-10-5-2-6-11-16)19-20-18(22)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,19,21)(H,20,22)
InChIKeyDAGXHFGVQQIRQB-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
5-bromo-N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
CID 4847342
N'-acetyl-3-phenylsulfanylpropanehydrazide
CID 30905937
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
N-ethoxy-4-phenylsulfanylbutanamide
CID 60717776
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336
N-[3-(benzylsulfonylmethyl)phenyl]-4-phenylsulfanylbutanamide
CID 86961330
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide
CID 16917444
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
CID 115628160
N-(2-ethylbutyl)-4-phenylsulfanylbutanamide
CID 115612600
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide?
The IUPAC name of N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide (CID 4787769) is N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide.
What is the SMILES notation for N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide?
The canonical SMILES for N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide is O=C(CCCSc1ccccc1)NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide?
The InChIKey is DAGXHFGVQQIRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17(12-7-13-23-16-10-5-2-6-11-16)19-20-18(22)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide?
N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide has a molecular weight of 328.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide is sourced from PubChem (CID 4787769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).