N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

C14H19FN2O5S2 — CID 4830029

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O5S2/c1-2-17(24(21,22)13-5-3-11(15)4-6-13)9-14(18)16-12-7-8-23(19,20)10-12/h3-6,12H,2,7-10H2,1H3,(H,16,18)
InChIKeyXUHAJZYFEKXBBG-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.14
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 4830029) has the molecular formula C14H19FN2O5S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID4830029
Molecular FormulaC14H19FN2O5S2
Molecular Weight378.45 g/mol
Exact Mass378.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O5S2/c1-2-17(24(21,22)13-5-3-11(15)4-6-13)9-14(18)16-12-7-8-23(19,20)10-12/h3-6,12H,2,7-10H2,1H3,(H,16,18)
InChIKeyXUHAJZYFEKXBBG-UHFFFAOYSA-N
XLogP0.14
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24816998
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
Cambridge id 6458207
CID 2284358
N-(1,1-dioxothiolan-3-yl)-2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5008392
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16275284
N-cycloheptyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 893696
2-[[(4-fluorophenyl)sulfonyl](methyl)amino]-N-isobutylacetamide
CID 1750312
2-[[(4-fluorophenyl)sulfonyl](methyl)amino]-N-propylacetamide
CID 1750408

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (CID 4830029) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is XUHAJZYFEKXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O5S2/c1-2-17(24(21,22)13-5-3-11(15)4-6-13)9-14(18)16-12-7-8-23(19,20)10-12/h3-6,12H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 378.45 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4830029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).