2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide

C14H19ClN2OS — CID 2865320

IUPAC2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide
SMILESCCC(CC)=NNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-4-12(5-2)16-17-14(18)10(3)19-13-8-6-11(15)7-9-13/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyWCYFWHLLUALMDZ-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide

2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide (PubChem CID 2865320) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide
PubChem CID2865320
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide
SMILESCCC(CC)=NNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-4-12(5-2)16-17-14(18)10(3)19-13-8-6-11(15)7-9-13/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyWCYFWHLLUALMDZ-UHFFFAOYSA-N
XLogP4.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide (CID 2865320) is 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide is CCC(CC)=NNC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide?
The InChIKey is WCYFWHLLUALMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-4-12(5-2)16-17-14(18)10(3)19-13-8-6-11(15)7-9-13/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide has a molecular weight of 298.84 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide is sourced from PubChem (CID 2865320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).