N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide

C27H19FN2O2S — CID 22783049

IUPACN-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(SCC(=O)n2c3ccccc3c3ccccc32)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H19FN2O2S/c28-19-11-9-18(10-12-19)27(32)29-20-13-15-21(16-14-20)33-17-26(31)30-24-7-3-1-5-22(24)23-6-2-4-8-25(23)30/h1-16H,17H2,(H,29,32)
InChIKeyKKTMILKTHCMKLB-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.62
Rot. Bonds5

About N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide

N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide (PubChem CID 22783049) has the molecular formula C27H19FN2O2S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
PubChem CID22783049
Molecular FormulaC27H19FN2O2S
Molecular Weight454.53 g/mol
Exact Mass454.12
IUPAC NameN-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(SCC(=O)n2c3ccccc3c3ccccc32)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H19FN2O2S/c28-19-11-9-18(10-12-19)27(32)29-20-13-15-21(16-14-20)33-17-26(31)30-24-7-3-1-5-22(24)23-6-2-4-8-25(23)30/h1-16H,17H2,(H,29,32)
InChIKeyKKTMILKTHCMKLB-UHFFFAOYSA-N
XLogP6.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 23095207
4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 19299956
N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 23099110
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone
CID 4018146
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22193375
N-[(Z)-3-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22193451
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 22777816
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide
CID 22777349
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide (CID 22783049) is N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide is O=C(Nc1ccc(SCC(=O)n2c3ccccc3c3ccccc32)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
The InChIKey is KKTMILKTHCMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O2S/c28-19-11-9-18(10-12-19)27(32)29-20-13-15-21(16-14-20)33-17-26(31)30-24-7-3-1-5-22(24)23-6-2-4-8-25(23)30/h1-16H,17H2,(H,29,32).
What are the key properties of N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide has a molecular weight of 454.53 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 22783049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).