2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide

C18H35NO2S — CID 163452909

IUPAC2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide
SMILESCCC(CC)(SCCCC/C=C\CC(C)C)C(=O)NCCO
InChIInChI=1S/C18H35NO2S/c1-5-18(6-2,17(21)19-13-14-20)22-15-11-9-7-8-10-12-16(3)4/h8,10,16,20H,5-7,9,11-15H2,1-4H3,(H,19,21)/b10-8-
InChIKeyBIAPJVCNFBJDSK-NTMALXAHSA-N
MW329.55 g/mol
LogP4.16
Rot. Bonds13

About 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide

2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide (PubChem CID 163452909) has the molecular formula C18H35NO2S and a molecular weight of 329.55 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide
PubChem CID163452909
Molecular FormulaC18H35NO2S
Molecular Weight329.55 g/mol
Exact Mass329.24
IUPAC Name2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide
SMILESCCC(CC)(SCCCC/C=C\CC(C)C)C(=O)NCCO
InChIInChI=1S/C18H35NO2S/c1-5-18(6-2,17(21)19-13-14-20)22-15-11-9-7-8-10-12-16(3)4/h8,10,16,20H,5-7,9,11-15H2,1-4H3,(H,19,21)/b10-8-
InChIKeyBIAPJVCNFBJDSK-NTMALXAHSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-hydroxy-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]-2,3-dimethylpent-4-enamide
CID 134568487
(4Z,7Z,10Z,14E,19Z)-N-(2-hydroxyethyl)-13,16-dimethyldocosa-4,7,10,14,19-pentaenamide
CID 137551096
ethane;(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-19-sulfanylnonadeca-5,8,11,14-tetraenamide
CID 142513729
2-[[2-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]sulfanylbutanoyl]amino]propanoic acid;2-methylpropane
CID 144224971
(Z)-N-(2-hydroxyethyl)-7-[3-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]thiiran-2-yl]hept-5-enamide
CID 155034456
(4Z,7Z)-N-(2-hydroxyethyl)-9-[3-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]thiiran-2-yl]nona-4,7-dienamide
CID 155042747
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide
CID 103688066
2-cyclopent-2-en-1-yl-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767411
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 103767491
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 103767602
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopent-3-ene-1-carboxamide
CID 103798933
N-(4-hydroxy-1-methylsulfanylbutan-2-yl)cyclopent-3-ene-1-carboxamide
CID 112343132

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide?
The IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide (CID 163452909) is 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide is CCC(CC)(SCCCC/C=C\CC(C)C)C(=O)NCCO.
What is the InChIKey of 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide?
The InChIKey is BIAPJVCNFBJDSK-NTMALXAHSA-N. The full InChI is InChI=1S/C18H35NO2S/c1-5-18(6-2,17(21)19-13-14-20)22-15-11-9-7-8-10-12-16(3)4/h8,10,16,20H,5-7,9,11-15H2,1-4H3,(H,19,21)/b10-8-.
What are the key properties of 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide?
2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide has a molecular weight of 329.55 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxyethyl)-2-[(Z)-8-methylnon-5-enyl]sulfanylbutanamide is sourced from PubChem (CID 163452909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).