N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide

C14H20N2O2S — CID 11437457

IUPACN-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide
SMILESO=C(CS)NCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17)
InChIKeyICMLRCZXRBTKLJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.23
Rot. Bonds8

About N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide

N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide (PubChem CID 11437457) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide
PubChem CID11437457
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide
SMILESO=C(CS)NCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17)
InChIKeyICMLRCZXRBTKLJ-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide?
The IUPAC name of N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide (CID 11437457) is N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide.
What is the SMILES notation for N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide?
The canonical SMILES for N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide is O=C(CS)NCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide?
The InChIKey is ICMLRCZXRBTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17).
What are the key properties of N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide?
N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide has a molecular weight of 280.39 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide is sourced from PubChem (CID 11437457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).