N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide

C20H30FNO3S — CID 110355785

IUPACN-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide
SMILESCCC(CC)C(CC(=O)N(CC)C1CCS(=O)(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C20H30FNO3S/c1-4-15(5-2)19(16-7-9-17(21)10-8-16)13-20(23)22(6-3)18-11-12-26(24,25)14-18/h7-10,15,18-19H,4-6,11-14H2,1-3H3
InChIKeyVACWFZWFIULEBE-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.77
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide

N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide (PubChem CID 110355785) has the molecular formula C20H30FNO3S and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide
PubChem CID110355785
Molecular FormulaC20H30FNO3S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide
SMILESCCC(CC)C(CC(=O)N(CC)C1CCS(=O)(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C20H30FNO3S/c1-4-15(5-2)19(16-7-9-17(21)10-8-16)13-20(23)22(6-3)18-11-12-26(24,25)14-18/h7-10,15,18-19H,4-6,11-14H2,1-3H3
InChIKeyVACWFZWFIULEBE-UHFFFAOYSA-N
XLogP3.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)butanamide
CID 110316535
3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 134011457
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
CID 108866926
3-(N-acetyl-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113126878
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 112994249
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7633122
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 52532535
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 51114006
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112994308
2-[[5-[1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 3877999
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690842

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide (CID 110355785) is N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide is CCC(CC)C(CC(=O)N(CC)C1CCS(=O)(=O)C1)c1ccc(F)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide?
The InChIKey is VACWFZWFIULEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO3S/c1-4-15(5-2)19(16-7-9-17(21)10-8-16)13-20(23)22(6-3)18-11-12-26(24,25)14-18/h7-10,15,18-19H,4-6,11-14H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide?
N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide has a molecular weight of 383.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide is sourced from PubChem (CID 110355785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).