3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide

C19H21FN2O3S — CID 99164681

IUPAC3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
SMILESCOc1ccc(SCCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-25-16-6-8-17(9-7-16)26-13-11-19(24)22(12-10-18(21)23)15-4-2-14(20)3-5-15/h2-9H,10-13H2,1H3,(H2,21,23)
InChIKeyDKQOHVVULKXCQX-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.23
Rot. Bonds9

About 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide

3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide (PubChem CID 99164681) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide.

Molecular Properties

Compound Name3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
PubChem CID99164681
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
SMILESCOc1ccc(SCCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-25-16-6-8-17(9-7-16)26-13-11-19(24)22(12-10-18(21)23)15-4-2-14(20)3-5-15/h2-9H,10-13H2,1H3,(H2,21,23)
InChIKeyDKQOHVVULKXCQX-UHFFFAOYSA-N
XLogP3.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55380115
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24526878
3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide
CID 134016137
3-[3-(4-methoxyphenyl)sulfanylpropanoyl-methylamino]propanoic acid
CID 119232616
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 41026099
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
3-(N-[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24574097
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 37325499
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide?
The IUPAC name of 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide (CID 99164681) is 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide.
What is the SMILES notation for 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide?
The canonical SMILES for 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide is COc1ccc(SCCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide?
The InChIKey is DKQOHVVULKXCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-25-16-6-8-17(9-7-16)26-13-11-19(24)22(12-10-18(21)23)15-4-2-14(20)3-5-15/h2-9H,10-13H2,1H3,(H2,21,23).
What are the key properties of 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide?
3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide has a molecular weight of 376.45 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide is sourced from PubChem (CID 99164681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).