N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide

C28H44N2OS2 — CID 66570995

IUPACN-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide
SMILESCCCCCCCCCCCCSC(C(=O)Nc1c(C)c(C)c(N)c(C)c1C)c1cccs1
InChIInChI=1S/C28H44N2OS2/c1-6-7-8-9-10-11-12-13-14-15-18-33-27(24-17-16-19-32-24)28(31)30-26-22(4)20(2)25(29)21(3)23(26)5/h16-17,19,27H,6-15,18,29H2,1-5H3,(H,30,31)
InChIKeyOQHPKLIXUSIAJF-UHFFFAOYSA-N
MW488.81 g/mol
LogP8.90
Rot. Bonds15

About N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide

N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide (PubChem CID 66570995) has the molecular formula C28H44N2OS2 and a molecular weight of 488.81 g/mol. Its IUPAC name is N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide
PubChem CID66570995
Molecular FormulaC28H44N2OS2
Molecular Weight488.81 g/mol
Exact Mass488.29
IUPAC NameN-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide
SMILESCCCCCCCCCCCCSC(C(=O)Nc1c(C)c(C)c(N)c(C)c1C)c1cccs1
InChIInChI=1S/C28H44N2OS2/c1-6-7-8-9-10-11-12-13-14-15-18-33-27(24-17-16-19-32-24)28(31)30-26-22(4)20(2)25(29)21(3)23(26)5/h16-17,19,27H,6-15,18,29H2,1-5H3,(H,30,31)
InChIKeyOQHPKLIXUSIAJF-UHFFFAOYSA-N
XLogP8.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-thiophen-2-yloctanamide
CID 67745725
methyl 2-thiophen-2-yloctanoate
CID 67745736
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
2-thiophen-2-ylhexanehydrazide
CID 174523282
4-pentylsulfanyl-1-thiophen-2-ylbutan-1-one
CID 107752475
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
2-tetradecan-7-ylthiophene
CID 137450901
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
4-cyano-4-[dodecylsulfanyl(thiophen-2-yl)methyl]sulfanylpentanoic acid
CID 175045673
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide (CID 66570995) is N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide is CCCCCCCCCCCCSC(C(=O)Nc1c(C)c(C)c(N)c(C)c1C)c1cccs1.
What is the InChIKey of N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide?
The InChIKey is OQHPKLIXUSIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2OS2/c1-6-7-8-9-10-11-12-13-14-15-18-33-27(24-17-16-19-32-24)28(31)30-26-22(4)20(2)25(29)21(3)23(26)5/h16-17,19,27H,6-15,18,29H2,1-5H3,(H,30,31).
What are the key properties of N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide?
N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide has a molecular weight of 488.81 g/mol, XLogP of 8.90, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,3,5,6-tetramethylphenyl)-2-dodecylsulfanyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 66570995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).