N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide

C23H33NOS — CID 74403172

IUPACN-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide
SMILESCNC(=O)c1ccccc1SCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C23H33NOS/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-26-22-15-7-6-14-21(22)23(25)24-5/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,24,25)
InChIKeyUATVIEUDDKLRJY-UHFFFAOYSA-N
MW371.59 g/mol
LogP6.56
Rot. Bonds10

About N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide

N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide (PubChem CID 74403172) has the molecular formula C23H33NOS and a molecular weight of 371.59 g/mol. Its IUPAC name is N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide
PubChem CID74403172
Molecular FormulaC23H33NOS
Molecular Weight371.59 g/mol
Exact Mass371.23
IUPAC NameN-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide
SMILESCNC(=O)c1ccccc1SCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C23H33NOS/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-26-22-15-7-6-14-21(22)23(25)24-5/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,24,25)
InChIKeyUATVIEUDDKLRJY-UHFFFAOYSA-N
XLogP6.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.59
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]piperazin-1-yl]-[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylphenyl]methanone
CID 73057093
N-[2-(2-aminoethoxy)ethyl]-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzamide
CID 73056469
N-[2-[[4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzamide
CID 73437849
2-(4,8,12-trimethyltrideca-3,7,11-trienylsulfanyl)benzoic acid
CID 72986215
3,7-dimethylocta-2,6-dienyl 2-(methylcarbamoyl)benzoate
CID 72641597
(Z)-but-2-ene;diethyl [4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]methyl phosphite;ethane
CID 144735116
4-diethoxyphosphoryloxybutyl 2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzoate
CID 123684102
5-fluoro-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid
CID 10339515
2-amino-N-[3-oxo-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbutan-2-yl]benzamide
CID 146359004
2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)pyridine-3-carboxylic acid
CID 70117225
2-[[1-carboxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethyl]amino]sulfanylbenzoic acid
CID 143996634
1-(methylperoxymethoxymethyl)-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzene
CID 89054178

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide?
The IUPAC name of N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide (CID 74403172) is N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide.
What is the SMILES notation for N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide?
The canonical SMILES for N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide is CNC(=O)c1ccccc1SCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide?
The InChIKey is UATVIEUDDKLRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NOS/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-26-22-15-7-6-14-21(22)23(25)24-5/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,24,25).
What are the key properties of N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide?
N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide has a molecular weight of 371.59 g/mol, XLogP of 6.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzamide is sourced from PubChem (CID 74403172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).