N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H21F3N2O5S — CID 55687145

IUPACN-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H21F3N2O5S/c24-23(25,26)18-14-17(27-22(30)20-9-4-12-33-20)10-11-19(18)28-21(29)15-34(31,32)13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,27,30)(H,28,29)
InChIKeyBPXFXSQYHLPFAV-UHFFFAOYSA-N
MW494.49 g/mol
LogP4.54
Rot. Bonds9

About N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55687145) has the molecular formula C23H21F3N2O5S and a molecular weight of 494.49 g/mol. Its IUPAC name is N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55687145
Molecular FormulaC23H21F3N2O5S
Molecular Weight494.49 g/mol
Exact Mass494.11
IUPAC NameN-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H21F3N2O5S/c24-23(25,26)18-14-17(27-22(30)20-9-4-12-33-20)10-11-19(18)28-21(29)15-34(31,32)13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,27,30)(H,28,29)
InChIKeyBPXFXSQYHLPFAV-UHFFFAOYSA-N
XLogP4.54
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758
N-[4-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55538469
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18273140
N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55668358
N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500795
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
N-[4-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 98437481
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55687145) is N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is BPXFXSQYHLPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5S/c24-23(25,26)18-14-17(27-22(30)20-9-4-12-33-20)10-11-19(18)28-21(29)15-34(31,32)13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,27,30)(H,28,29).
What are the key properties of N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 494.49 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55687145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).