[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium

C20H20ClN2O2S+ — CID 8918823

IUPAC[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H19ClN2O2S/c1-14(18-6-4-12-25-18)22-13-20(24)23-17-5-2-3-7-19(17)26-16-10-8-15(21)9-11-16/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1
InChIKeyWVLVNTCCPUHLBU-CQSZACIVSA-O
MW387.91 g/mol
LogP4.35
Rot. Bonds7

About [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium

[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8918823) has the molecular formula C20H20ClN2O2S+ and a molecular weight of 387.91 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
PubChem CID8918823
Molecular FormulaC20H20ClN2O2S+
Molecular Weight387.91 g/mol
Exact Mass387.09
IUPAC Name[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H19ClN2O2S/c1-14(18-6-4-12-25-18)22-13-20(24)23-17-5-2-3-7-19(17)26-16-10-8-15(21)9-11-16/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1
InChIKeyWVLVNTCCPUHLBU-CQSZACIVSA-O
XLogP4.35
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918435
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919194
[2-(3-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917842
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9254131
[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium
CID 8922795
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 8919274
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712133
[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 8917988
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (CID 8918823) is [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is WVLVNTCCPUHLBU-CQSZACIVSA-O. The full InChI is InChI=1S/C20H19ClN2O2S/c1-14(18-6-4-12-25-18)22-13-20(24)23-17-5-2-3-7-19(17)26-16-10-8-15(21)9-11-16/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1.
What are the key properties of [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 387.91 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8918823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).