(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide

C22H44N2O2S2 — CID 98093288

IUPAC(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide
SMILESCCCCCCCCC(CSSC[C@H](CCCCCCCC)C(N)=O)C(N)=O
InChIInChI=1S/C22H44N2O2S2/c1-3-5-7-9-11-13-15-19(21(23)25)17-27-28-18-20(22(24)26)16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3,(H2,23,25)(H2,24,26)/t19-,20?/m0/s1
InChIKeyFKUICHUMWGHTFB-XJDOXCRVSA-N
MW432.74 g/mol
LogP6.07
Rot. Bonds21

About (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide

(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide (PubChem CID 98093288) has the molecular formula C22H44N2O2S2 and a molecular weight of 432.74 g/mol. Its IUPAC name is (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide.

Molecular Properties

Compound Name(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide
PubChem CID98093288
Molecular FormulaC22H44N2O2S2
Molecular Weight432.74 g/mol
Exact Mass432.28
IUPAC Name(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide
SMILESCCCCCCCCC(CSSC[C@H](CCCCCCCC)C(N)=O)C(N)=O
InChIInChI=1S/C22H44N2O2S2/c1-3-5-7-9-11-13-15-19(21(23)25)17-27-28-18-20(22(24)26)16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3,(H2,23,25)(H2,24,26)/t19-,20?/m0/s1
InChIKeyFKUICHUMWGHTFB-XJDOXCRVSA-N
XLogP6.07
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-hexadecyloctadecanamide
CID 87836706
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2,9-dibutyldecanediamide
CID 141080467
azane;2-ethyldodecanamide
CID 174462460
acetic acid;2-butylhexadecanamide
CID 174441858
2-undecylhexanediamide
CID 174629940
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
7-carbamoylpentadecanoic acid
CID 140987363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide?
The IUPAC name of (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide (CID 98093288) is (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide.
What is the SMILES notation for (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide?
The canonical SMILES for (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide is CCCCCCCCC(CSSC[C@H](CCCCCCCC)C(N)=O)C(N)=O.
What is the InChIKey of (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide?
The InChIKey is FKUICHUMWGHTFB-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H44N2O2S2/c1-3-5-7-9-11-13-15-19(21(23)25)17-27-28-18-20(22(24)26)16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3,(H2,23,25)(H2,24,26)/t19-,20?/m0/s1.
What are the key properties of (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide?
(2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide has a molecular weight of 432.74 g/mol, XLogP of 6.07, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[(2R)-2-carbamoyldecyl]disulfanyl]methyl]decanamide is sourced from PubChem (CID 98093288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).