(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide

C20H31NOS — CID 15687754

IUPAC(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide
SMILESCCCCCCCCCC/C(=C\SC)C(=O)Nc1ccccc1
InChIInChI=1S/C20H31NOS/c1-3-4-5-6-7-8-9-11-14-18(17-23-2)20(22)21-19-15-12-10-13-16-19/h10,12-13,15-17H,3-9,11,14H2,1-2H3,(H,21,22)/b18-17+
InChIKeyDEWUCBIRPUUORS-ISLYRVAYSA-N
MW333.54 g/mol
LogP6.40
Rot. Bonds12

About (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide

(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide (PubChem CID 15687754) has the molecular formula C20H31NOS and a molecular weight of 333.54 g/mol. Its IUPAC name is (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide.

Molecular Properties

Compound Name(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide
PubChem CID15687754
Molecular FormulaC20H31NOS
Molecular Weight333.54 g/mol
Exact Mass333.21
IUPAC Name(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide
SMILESCCCCCCCCCC/C(=C\SC)C(=O)Nc1ccccc1
InChIInChI=1S/C20H31NOS/c1-3-4-5-6-7-8-9-11-14-18(17-23-2)20(22)21-19-15-12-10-13-16-19/h10,12-13,15-17H,3-9,11,14H2,1-2H3,(H,21,22)/b18-17+
InChIKeyDEWUCBIRPUUORS-ISLYRVAYSA-N
XLogP6.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.54
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide
CID 15687746
5-oxo-N-phenylheptadecanamide
CID 3308902
formamide;N-phenylheptanamide
CID 143464966
1-(octanoylamino)-3-phenylurea
CID 5130887
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
S-[2-(hexadecanoylamino)ethyl] N-phenylcarbamothioate
CID 58663793

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide?
The IUPAC name of (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide (CID 15687754) is (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide.
What is the SMILES notation for (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide?
The canonical SMILES for (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide is CCCCCCCCCC/C(=C\SC)C(=O)Nc1ccccc1.
What is the InChIKey of (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide?
The InChIKey is DEWUCBIRPUUORS-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H31NOS/c1-3-4-5-6-7-8-9-11-14-18(17-23-2)20(22)21-19-15-12-10-13-16-19/h10,12-13,15-17H,3-9,11,14H2,1-2H3,(H,21,22)/b18-17+.
What are the key properties of (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide?
(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide has a molecular weight of 333.54 g/mol, XLogP of 6.40, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide is sourced from PubChem (CID 15687754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).