(3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide

C23H27NOS — CID 142271627

IUPAC(3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NCC1(c2csc3ccccc23)CCCCC1
InChIInChI=1S/C23H27NOS/c1-3-4-6-11-18(2)22(25)24-17-23(14-9-5-10-15-23)20-16-26-21-13-8-7-12-19(20)21/h3-4,6-8,11-13,16H,2,5,9-10,14-15,17H2,1H3,(H,24,25)/b4-3-,11-6-
InChIKeyPCDDUPVGFCOGLD-ZRTVSTLASA-N
MW365.54 g/mol
LogP5.91
Rot. Bonds6

About (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide

(3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide (PubChem CID 142271627) has the molecular formula C23H27NOS and a molecular weight of 365.54 g/mol. Its IUPAC name is (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide
PubChem CID142271627
Molecular FormulaC23H27NOS
Molecular Weight365.54 g/mol
Exact Mass365.18
IUPAC Name(3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NCC1(c2csc3ccccc23)CCCCC1
InChIInChI=1S/C23H27NOS/c1-3-4-6-11-18(2)22(25)24-17-23(14-9-5-10-15-23)20-16-26-21-13-8-7-12-19(20)21/h3-4,6-8,11-13,16H,2,5,9-10,14-15,17H2,1H3,(H,24,25)/b4-3-,11-6-
InChIKeyPCDDUPVGFCOGLD-ZRTVSTLASA-N
XLogP5.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide with MolForge

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Related Compounds

(E,2E)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-(1-hydroxyethylidene)pent-3-enamide
CID 142271520
(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide
CID 110481161
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
3-[3-(1-benzothiophen-3-yl)oxetan-3-yl]propanoic acid
CID 116871968
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493
2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 76857593
1-[1-benzothiophene-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540233
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
N-[1-(bromomethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 114314247
3-[3-(1-benzothiophen-3-yl)piperidin-3-yl]-N-benzyl-N-methylpropan-1-amine;hydrochloride
CID 86678601

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide (CID 142271627) is (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide is C=C(/C=C\C=C/C)C(=O)NCC1(c2csc3ccccc23)CCCCC1.
What is the InChIKey of (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide?
The InChIKey is PCDDUPVGFCOGLD-ZRTVSTLASA-N. The full InChI is InChI=1S/C23H27NOS/c1-3-4-6-11-18(2)22(25)24-17-23(14-9-5-10-15-23)20-16-26-21-13-8-7-12-19(20)21/h3-4,6-8,11-13,16H,2,5,9-10,14-15,17H2,1H3,(H,24,25)/b4-3-,11-6-.
What are the key properties of (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide?
(3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide has a molecular weight of 365.54 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[[1-(1-benzothiophen-3-yl)cyclohexyl]methyl]-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 142271627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).