2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide

C13H15ClN2OS — CID 9121559

IUPAC2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=C1CCCC1
InChIInChI=1S/C13H15ClN2OS/c14-10-5-7-12(8-6-10)18-9-13(17)16-15-11-3-1-2-4-11/h5-8H,1-4,9H2,(H,16,17)
InChIKeyYWKLUYOXAZJJLN-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide

2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide (PubChem CID 9121559) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
PubChem CID9121559
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=C1CCCC1
InChIInChI=1S/C13H15ClN2OS/c14-10-5-7-12(8-6-10)18-9-13(17)16-15-11-3-1-2-4-11/h5-8H,1-4,9H2,(H,16,17)
InChIKeyYWKLUYOXAZJJLN-UHFFFAOYSA-N
XLogP3.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.48
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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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
CID 722531
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide
CID 126125374
N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
CID 2765790
2-(4-chlorophenyl)sulfanyl-N-(heptan-4-ylideneamino)acetamide
CID 7241820
2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107846297
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide (CID 9121559) is 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide is O=C(CSc1ccc(Cl)cc1)NN=C1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide?
The InChIKey is YWKLUYOXAZJJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c14-10-5-7-12(8-6-10)18-9-13(17)16-15-11-3-1-2-4-11/h5-8H,1-4,9H2,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide has a molecular weight of 282.80 g/mol, XLogP of 3.48, 4 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-(cyclopentylideneamino)acetamide is sourced from PubChem (CID 9121559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).