2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

C16H17FN2O2S2 — CID 55870041

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S2/c1-11-2-7-14(23-11)8-18-15(20)9-22-10-16(21)19-13-5-3-12(17)4-6-13/h2-7H,8-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZHCFJRHUCHSUDU-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 55870041) has the molecular formula C16H17FN2O2S2 and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID55870041
Molecular FormulaC16H17FN2O2S2
Molecular Weight352.46 g/mol
Exact Mass352.07
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S2/c1-11-2-7-14(23-11)8-18-15(20)9-22-10-16(21)19-13-5-3-12(17)4-6-13/h2-7H,8-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZHCFJRHUCHSUDU-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 47935438
2-[[ethylamino-[(5-methylthiophen-2-yl)methylamino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111897822
N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 38639105
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 24586248
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55395257
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 86799328
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 55870041) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CSCC(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is ZHCFJRHUCHSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S2/c1-11-2-7-14(23-11)8-18-15(20)9-22-10-16(21)19-13-5-3-12(17)4-6-13/h2-7H,8-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 55870041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).