N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide

C14H21NO4S — CID 3759925

IUPACN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO4S/c1-11(2)8-14(16)15(9-13-4-3-6-19-13)12-5-7-20(17,18)10-12/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyNPWIUPXJLNUSSB-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.84
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide

N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide (PubChem CID 3759925) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
PubChem CID3759925
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO4S/c1-11(2)8-14(16)15(9-13-4-3-6-19-13)12-5-7-20(17,18)10-12/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyNPWIUPXJLNUSSB-UHFFFAOYSA-N
XLogP1.84
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 27128038
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 40953097
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
2-(4-acetamidophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 51923302
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)propanamide
CID 3361080
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 4859439
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8501492
3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 8501498
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 40607572

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide (CID 3759925) is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide is CC(C)CC(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is NPWIUPXJLNUSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(2)8-14(16)15(9-13-4-3-6-19-13)12-5-7-20(17,18)10-12/h3-4,6,11-12H,5,7-10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 299.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 3759925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).