3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide

C19H19F2NOS2 — CID 46576054

IUPAC3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C19H19F2NOS2/c20-16-7-5-13(11-17(16)21)6-8-18(23)22-15-4-1-3-14(12-15)19-24-9-2-10-25-19/h1,3-5,7,11-12,19H,2,6,8-10H2,(H,22,23)
InChIKeyNSWDVLNADPRIAE-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.40
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide

3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide (PubChem CID 46576054) has the molecular formula C19H19F2NOS2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
PubChem CID46576054
Molecular FormulaC19H19F2NOS2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C19H19F2NOS2/c20-16-7-5-13(11-17(16)21)6-8-18(23)22-15-4-1-3-14(12-15)19-24-9-2-10-25-19/h1,3-5,7,11-12,19H,2,6,8-10H2,(H,22,23)
InChIKeyNSWDVLNADPRIAE-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 26129086
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CID 27842854
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55498469
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
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3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide
CID 55387934
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27842609
3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide
CID 131929456
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 38797742
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
N-[3-(1,3-dithian-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 27843194
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide (CID 46576054) is 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide is O=C(CCc1ccc(F)c(F)c1)Nc1cccc(C2SCCCS2)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide?
The InChIKey is NSWDVLNADPRIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NOS2/c20-16-7-5-13(11-17(16)21)6-8-18(23)22-15-4-1-3-14(12-15)19-24-9-2-10-25-19/h1,3-5,7,11-12,19H,2,6,8-10H2,(H,22,23).
What are the key properties of 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide?
3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide is sourced from PubChem (CID 46576054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).