N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide

C15H22N2OS — CID 114752772

IUPACN-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2OS/c1-2-3-4-5-6-15(18)17-13-9-7-12(8-10-13)11-14(16)19/h7-10H,2-6,11H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQFFIIBIVVBLLOY-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.42
Rot. Bonds8

About N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide

N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide (PubChem CID 114752772) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
PubChem CID114752772
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2OS/c1-2-3-4-5-6-15(18)17-13-9-7-12(8-10-13)11-14(16)19/h7-10H,2-6,11H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQFFIIBIVVBLLOY-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-heptylphenyl)heptanamide
CID 101077737
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]octanamide
CID 43915035
heptyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155516196
N-(4-acetamidophenyl)hexanamide
CID 4953736
formamide;N-phenylheptanamide
CID 143464966
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
N-(4-tert-butylphenyl)dodecanamide
CID 118504435

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide (CID 114752772) is N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(CC(N)=S)cc1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide?
The InChIKey is QFFIIBIVVBLLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-3-4-5-6-15(18)17-13-9-7-12(8-10-13)11-14(16)19/h7-10H,2-6,11H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide?
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide has a molecular weight of 278.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide is sourced from PubChem (CID 114752772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).