N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide

C25H33NO5S — CID 19244219

IUPACN-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(Cc2ccc(C3CC3C)o2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C25H33NO5S/c1-3-4-5-13-30-21-8-6-19(7-9-21)25(27)26(20-12-14-32(28,29)17-20)16-22-10-11-24(31-22)23-15-18(23)2/h6-11,18,20,23H,3-5,12-17H2,1-2H3
InChIKeyLDHOFKMOLZLINA-UHFFFAOYSA-N
MW459.61 g/mol
LogP4.80
Rot. Bonds10

About N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide

N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide (PubChem CID 19244219) has the molecular formula C25H33NO5S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide
PubChem CID19244219
Molecular FormulaC25H33NO5S
Molecular Weight459.61 g/mol
Exact Mass459.21
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(Cc2ccc(C3CC3C)o2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C25H33NO5S/c1-3-4-5-13-30-21-8-6-19(7-9-21)25(27)26(20-12-14-32(28,29)17-20)16-22-10-11-24(31-22)23-15-18(23)2/h6-11,18,20,23H,3-5,12-17H2,1-2H3
InChIKeyLDHOFKMOLZLINA-UHFFFAOYSA-N
XLogP4.80
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide with MolForge

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Related Compounds

4-butoxy-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244218
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 41067881
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244185
4-butoxy-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]benzamide
CID 40944705
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]acetamide
CID 19244212
N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide
CID 19244271
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 40643210
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244305
N-[(3S)-1,1-dioxothiolan-3-yl]-4-hexoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 41064961
3-butoxy-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 40643266
N-[(3S)-1,1-dioxothiolan-3-yl]-4-pentoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 41064869
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 40775794

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide (CID 19244219) is N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)N(Cc2ccc(C3CC3C)o2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide?
The InChIKey is LDHOFKMOLZLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5S/c1-3-4-5-13-30-21-8-6-19(7-9-21)25(27)26(20-12-14-32(28,29)17-20)16-22-10-11-24(31-22)23-15-18(23)2/h6-11,18,20,23H,3-5,12-17H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide?
N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-pentoxybenzamide has a molecular weight of 459.61 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 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]-4-pentoxybenzamide is sourced from PubChem (CID 19244219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).