N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

C26H19NO3S — CID 22778319

IUPACN-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H19NO3S/c28-24(18-7-12-23-19(15-18)14-17-4-1-2-5-22(17)23)16-31-21-10-8-20(9-11-21)27-26(29)25-6-3-13-30-25/h1-13,15H,14,16H2,(H,27,29)
InChIKeyOITHSFVCMDGUMG-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.08
Rot. Bonds6

About N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 22778319) has the molecular formula C26H19NO3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID22778319
Molecular FormulaC26H19NO3S
Molecular Weight425.51 g/mol
Exact Mass425.11
IUPAC NameN-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H19NO3S/c28-24(18-7-12-23-19(15-18)14-17-4-1-2-5-22(17)23)16-31-21-10-8-20(9-11-21)27-26(29)25-6-3-13-30-25/h1-13,15H,14,16H2,(H,27,29)
InChIKeyOITHSFVCMDGUMG-UHFFFAOYSA-N
XLogP6.08
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23096582
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 23096843
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[(Z)-3-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783646
(E)-4-[3-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18894841
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]furan-2-carboxamide
CID 19631521
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2-(4-chlorophenyl)sulfanyl-N-(9H-fluoren-2-yl)acetamide
CID 1284497
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 1326310
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 19630614
1-[3-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]-3-(2-methoxyphenyl)thiourea
CID 19300121

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (CID 22778319) is N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is O=C(CSc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is OITHSFVCMDGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3S/c28-24(18-7-12-23-19(15-18)14-17-4-1-2-5-22(17)23)16-31-21-10-8-20(9-11-21)27-26(29)25-6-3-13-30-25/h1-13,15H,14,16H2,(H,27,29).
What are the key properties of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 22778319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).