(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide

C14H19FN2O2S — CID 8733653

IUPAC(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2S/c1-3-8-16-14(19)10(2)17-13(18)9-20-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyWXHSGARAMAVCOH-SNVBAGLBSA-N
MW298.38 g/mol
LogP1.95
Rot. Bonds7

About (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide

(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide (PubChem CID 8733653) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
PubChem CID8733653
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2S/c1-3-8-16-14(19)10(2)17-13(18)9-20-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyWXHSGARAMAVCOH-SNVBAGLBSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide
CID 8844305
3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43240732
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011185
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 80539179
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 17407700
(2S)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61143830
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132667059

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide (CID 8733653) is (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide?
The InChIKey is WXHSGARAMAVCOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-3-8-16-14(19)10(2)17-13(18)9-20-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide?
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide has a molecular weight of 298.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 8733653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).