N-(3-sulfanylphenyl)heptanamide

C13H19NOS — CID 173451208

IUPACN-(3-sulfanylphenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cccc(S)c1
InChIInChI=1S/C13H19NOS/c1-2-3-4-5-9-13(15)14-11-7-6-8-12(16)10-11/h6-8,10,16H,2-5,9H2,1H3,(H,14,15)
InChIKeyBCAANMYLIKWKNF-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.88
Rot. Bonds6

About N-(3-sulfanylphenyl)heptanamide

N-(3-sulfanylphenyl)heptanamide (PubChem CID 173451208) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(3-sulfanylphenyl)heptanamide.

Molecular Properties

Compound NameN-(3-sulfanylphenyl)heptanamide
PubChem CID173451208
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(3-sulfanylphenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cccc(S)c1
InChIInChI=1S/C13H19NOS/c1-2-3-4-5-9-13(15)14-11-7-6-8-12(16)10-11/h6-8,10,16H,2-5,9H2,1H3,(H,14,15)
InChIKeyBCAANMYLIKWKNF-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-bromophenyl)heptanamide
CID 4596383
N-(3-ethylphenyl)decanamide
CID 4053743
3-(heptanoylamino)benzamide
CID 54789184
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
methyl 3-(decanoylamino)benzoate
CID 142485980

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfanylphenyl)heptanamide?
The IUPAC name of N-(3-sulfanylphenyl)heptanamide (CID 173451208) is N-(3-sulfanylphenyl)heptanamide.
What is the SMILES notation for N-(3-sulfanylphenyl)heptanamide?
The canonical SMILES for N-(3-sulfanylphenyl)heptanamide is CCCCCCC(=O)Nc1cccc(S)c1.
What is the InChIKey of N-(3-sulfanylphenyl)heptanamide?
The InChIKey is BCAANMYLIKWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-3-4-5-9-13(15)14-11-7-6-8-12(16)10-11/h6-8,10,16H,2-5,9H2,1H3,(H,14,15).
What are the key properties of N-(3-sulfanylphenyl)heptanamide?
N-(3-sulfanylphenyl)heptanamide has a molecular weight of 237.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfanylphenyl)heptanamide is sourced from PubChem (CID 173451208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).