(E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide

C16H23NS — CID 19908483

IUPAC(E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide
SMILESCC(C)CNC(=S)/C=C/CCCc1ccccc1
InChIInChI=1S/C16H23NS/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3,5-6,8-10,12,14H,4,7,11,13H2,1-2H3,(H,17,18)/b12-8+
InChIKeyDSCNXGZIDCCHRA-XYOKQWHBSA-N
MW261.43 g/mol
LogP4.14
Rot. Bonds7

About (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide

(E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide (PubChem CID 19908483) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide
PubChem CID19908483
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name(E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide
SMILESCC(C)CNC(=S)/C=C/CCCc1ccccc1
InChIInChI=1S/C16H23NS/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3,5-6,8-10,12,14H,4,7,11,13H2,1-2H3,(H,17,18)/b12-8+
InChIKeyDSCNXGZIDCCHRA-XYOKQWHBSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
N-methyl-7-phenylhept-3-en-1-amine
CID 79592715
[(E)-5-bromopent-4-enyl]benzene
CID 15076450
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
(E)-N-(2-methylpropyl)-3-(2-phenylethylsulfanyl)prop-2-enamide
CID 134093332
(E)-N-methyl-11-phenylundec-2-enamide
CID 118028584
N-(2-methoxyphenyl)-6-phenylhex-2-enamide
CID 67977589
(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 88635399
5-phenylpent-1-ene-1-sulfonic acid
CID 54140534
[(4Z)-8-methylnona-4,8-dienyl]benzene
CID 10775019
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide?
The IUPAC name of (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide (CID 19908483) is (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide?
The canonical SMILES for (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide is CC(C)CNC(=S)/C=C/CCCc1ccccc1.
What is the InChIKey of (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide?
The InChIKey is DSCNXGZIDCCHRA-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H23NS/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3,5-6,8-10,12,14H,4,7,11,13H2,1-2H3,(H,17,18)/b12-8+.
What are the key properties of (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide?
(E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide has a molecular weight of 261.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)-6-phenylhex-2-enethioamide is sourced from PubChem (CID 19908483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).