2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide

C20H23FN2O3S — CID 4788884

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-14(27-13-19(24)23-17-7-5-16(21)6-8-17)20(25)22-12-11-15-3-9-18(26-2)10-4-15/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRGQKOVJXYCPJCX-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.25
Rot. Bonds9

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 4788884) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID4788884
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-14(27-13-19(24)23-17-7-5-16(21)6-8-17)20(25)22-12-11-15-3-9-18(26-2)10-4-15/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRGQKOVJXYCPJCX-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565
2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
3-(4-Fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5080198
N-(2-methoxy-5-methylphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 880073
2-(4-Methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 2840254
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957
2-(benzylthio)-N-(3-methoxyphenyl)propanamide
CID 2890397
2-(3,4-Difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3370398
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 3691945
3-[(2-fluorobenzyl)thio]-N-(3-methoxybenzyl)propanamide
CID 5053730
N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2217968

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 4788884) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)SCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is RGQKOVJXYCPJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14(27-13-19(24)23-17-7-5-16(21)6-8-17)20(25)22-12-11-15-3-9-18(26-2)10-4-15/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 390.48 g/mol, XLogP of 3.25, 9 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-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 4788884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).