N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide

C13H21NO2S — CID 75423115

IUPACN-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1ccc(C)o1
InChIInChI=1S/C13H21NO2S/c1-5-17-9-8-10(2)14(4)13(15)12-7-6-11(3)16-12/h6-7,10H,5,8-9H2,1-4H3
InChIKeyNHTWNXXBBYFTRP-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.19
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide (PubChem CID 75423115) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide
PubChem CID75423115
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1ccc(C)o1
InChIInChI=1S/C13H21NO2S/c1-5-17-9-8-10(2)14(4)13(15)12-7-6-11(3)16-12/h6-7,10H,5,8-9H2,1-4H3
InChIKeyNHTWNXXBBYFTRP-UHFFFAOYSA-N
XLogP3.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylfuran-2-carboxamide
CID 16269000
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)furan-2-carboxamide
CID 18573626
5-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylfuran-2-carboxamide
CID 18573627
N-cycloheptyl-5-methylfuran-2-carboxamide
CID 897030
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylfuran-2-yl)-methanone
CID 11602209
N-butan-2-yl-5-[(3-fluorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3495318

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide (CID 75423115) is N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide is CCSCCC(C)N(C)C(=O)c1ccc(C)o1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide?
The InChIKey is NHTWNXXBBYFTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-17-9-8-10(2)14(4)13(15)12-7-6-11(3)16-12/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-N,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 75423115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).