2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide

C20H23FN2O2S — CID 34733202

IUPAC2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCSc1ccccc1F
InChIInChI=1S/C20H23FN2O2S/c1-14(2)13-22-20(25)15-7-3-5-9-17(15)23-19(24)11-12-26-18-10-6-4-8-16(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBLIJCNKWOKUOCP-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.33
Rot. Bonds8

About 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide

2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 34733202) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide
PubChem CID34733202
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCSc1ccccc1F
InChIInChI=1S/C20H23FN2O2S/c1-14(2)13-22-20(25)15-7-3-5-9-17(15)23-19(24)11-12-26-18-10-6-4-8-16(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBLIJCNKWOKUOCP-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
2-[[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 16600406
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567890
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide (CID 34733202) is 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CCSc1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is BLIJCNKWOKUOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-14(2)13-22-20(25)15-7-3-5-9-17(15)23-19(24)11-12-26-18-10-6-4-8-16(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide?
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 374.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 34733202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).