N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide

C18H24FNO4S — CID 136531983

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)ccc1F
InChIInChI=1S/C18H24FNO4S/c1-24-17-11-13(7-8-16(17)19)18(21)20(14-5-3-2-4-6-14)15-9-10-25(22,23)12-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3
InChIKeyOHLOBJXEOGQYME-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.80
Rot. Bonds4

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide (PubChem CID 136531983) has the molecular formula C18H24FNO4S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
PubChem CID136531983
Molecular FormulaC18H24FNO4S
Molecular Weight369.46 g/mol
Exact Mass369.14
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)ccc1F
InChIInChI=1S/C18H24FNO4S/c1-24-17-11-13(7-8-16(17)19)18(21)20(14-5-3-2-4-6-14)15-9-10-25(22,23)12-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3
InChIKeyOHLOBJXEOGQYME-UHFFFAOYSA-N
XLogP2.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide
CID 136531982
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
[2-[cyclohexyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 41081158
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide (CID 136531983) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)ccc1F.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide?
The InChIKey is OHLOBJXEOGQYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4S/c1-24-17-11-13(7-8-16(17)19)18(21)20(14-5-3-2-4-6-14)15-9-10-25(22,23)12-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide has a molecular weight of 369.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 136531983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).