5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide

C21H40N2O3S — CID 89214873

IUPAC5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide
SMILESCCCC/C(C)=C(C)/C=C(/NC(=O)CCCCNS(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C21H40N2O3S/c1-8-9-12-18(6)19(7)15-20(16(2)3)23-21(24)13-10-11-14-22-27(25,26)17(4)5/h15-17,22H,8-14H2,1-7H3,(H,23,24)/b19-18+,20-15+
InChIKeyMPPQDIQNJOIACH-SLBKUBJPSA-N
MW400.63 g/mol
LogP4.67
Rot. Bonds13

About 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide

5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide (PubChem CID 89214873) has the molecular formula C21H40N2O3S and a molecular weight of 400.63 g/mol. Its IUPAC name is 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide.

Molecular Properties

Compound Name5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide
PubChem CID89214873
Molecular FormulaC21H40N2O3S
Molecular Weight400.63 g/mol
Exact Mass400.28
IUPAC Name5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide
SMILESCCCC/C(C)=C(C)/C=C(/NC(=O)CCCCNS(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C21H40N2O3S/c1-8-9-12-18(6)19(7)15-20(16(2)3)23-21(24)13-10-11-14-22-27(25,26)17(4)5/h15-17,22H,8-14H2,1-7H3,(H,23,24)/b19-18+,20-15+
InChIKeyMPPQDIQNJOIACH-SLBKUBJPSA-N
XLogP4.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide
CID 89214862
N-(4-methylcyclohexa-1,3-dien-1-yl)-4-(propan-2-ylsulfinylamino)cyclohex-3-ene-1-carboxamide
CID 70892490
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide
CID 71040419
N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040476
N-(4-ethylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 71040485
5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
CID 89214752
N-[(1R)-4-amino-2-methyl-3-sulfanylcyclohexa-2,4-dien-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214856
N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214867
N-[(5E)-5-cyclohexylhepta-1,5-dien-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89215073
N-[(3Z)-3-[(2E)-2-ethylidenethiophen-3-ylidene]prop-1-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89215075
N-[(3E,5E)-7-amino-2,5-dimethyl-6-sulfanylhepta-1,3,5-trien-4-yl]-4-(propan-2-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
CID 89215099
N-[(4Z,7E,9Z)-7,10-dimethyldodeca-4,7,9-trien-3-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89256521

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide?
The IUPAC name of 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide (CID 89214873) is 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide.
What is the SMILES notation for 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide?
The canonical SMILES for 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide is CCCC/C(C)=C(C)/C=C(/NC(=O)CCCCNS(=O)(=O)C(C)C)C(C)C.
What is the InChIKey of 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide?
The InChIKey is MPPQDIQNJOIACH-SLBKUBJPSA-N. The full InChI is InChI=1S/C21H40N2O3S/c1-8-9-12-18(6)19(7)15-20(16(2)3)23-21(24)13-10-11-14-22-27(25,26)17(4)5/h15-17,22H,8-14H2,1-7H3,(H,23,24)/b19-18+,20-15+.
What are the key properties of 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide?
5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide has a molecular weight of 400.63 g/mol, XLogP of 4.67, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfonylamino)-N-[(3E,5E)-2,5,6-trimethyldeca-3,5-dien-3-yl]pentanamide is sourced from PubChem (CID 89214873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).