2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide

C15H19FN2O4S2 — CID 9426984

IUPAC2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CS[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19FN2O4S2/c1-18(8-14(19)17-12-4-2-11(16)3-5-12)15(20)9-23-13-6-7-24(21,22)10-13/h2-5,13H,6-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyZUSABBWJAFSNHU-ZDUSSCGKSA-N
MW374.46 g/mol
LogP1.14
Rot. Bonds6

About 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9426984) has the molecular formula C15H19FN2O4S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9426984
Molecular FormulaC15H19FN2O4S2
Molecular Weight374.46 g/mol
Exact Mass374.08
IUPAC Name2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CS[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19FN2O4S2/c1-18(8-14(19)17-12-4-2-11(16)3-5-12)15(20)9-23-13-6-7-24(21,22)10-13/h2-5,13H,6-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyZUSABBWJAFSNHU-ZDUSSCGKSA-N
XLogP1.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9426983
N-(2,6-dimethylphenyl)-2-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]acetamide
CID 9426123
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8668141
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 9043135
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 9047770
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzamide
CID 9044427
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63930411
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
4-[[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]methyl]-N-methylbenzamide
CID 8967890
(3R)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 9090475
2-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8994662

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 9426984) is 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CS[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is ZUSABBWJAFSNHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN2O4S2/c1-18(8-14(19)17-12-4-2-11(16)3-5-12)15(20)9-23-13-6-7-24(21,22)10-13/h2-5,13H,6-10H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9426984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).