N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide

C17H25NO4S — CID 19244271

IUPACN-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(C2CC2C)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25NO4S/c1-3-4-17(19)18(13-7-8-23(20,21)11-13)10-14-5-6-16(22-14)15-9-12(15)2/h5-6,12-13,15H,3-4,7-11H2,1-2H3
InChIKeyQPHCTUNVLQHSQU-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.72
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide

N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide (PubChem CID 19244271) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide
PubChem CID19244271
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(C2CC2C)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25NO4S/c1-3-4-17(19)18(13-7-8-23(20,21)11-13)10-14-5-6-16(22-14)15-9-12(15)2/h5-6,12-13,15H,3-4,7-11H2,1-2H3
InChIKeyQPHCTUNVLQHSQU-UHFFFAOYSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]acetamide
CID 19244212
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244185
4-butoxy-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244218
N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide
CID 19244219
(E)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide
CID 19244287
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 19244279
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244305
(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
CID 97352107
(2R)-N-cyclopropyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
CID 124744236
N-(1,1-dioxothiolan-3-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]acetamide
CID 19244320
(E)-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide
CID 19244285
N-cyclopropyl-N-(2-hydroxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 43576610

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide (CID 19244271) is N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide is CCCC(=O)N(Cc1ccc(C2CC2C)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide?
The InChIKey is QPHCTUNVLQHSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-3-4-17(19)18(13-7-8-23(20,21)11-13)10-14-5-6-16(22-14)15-9-12(15)2/h5-6,12-13,15H,3-4,7-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide?
N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide has a molecular weight of 339.46 g/mol, XLogP of 2.72, 6 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-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide is sourced from PubChem (CID 19244271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).