3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

C27H27N3O3S — CID 23649246

IUPAC3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(NS(=O)(=O)CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C27H27N3O3S/c1-3-22(19-13-7-5-8-14-19)29-27(31)24-21-17-11-12-18-23(21)28-25(20-15-9-6-10-16-20)26(24)30-34(32,33)4-2/h5-18,22,30H,3-4H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyCVYJSSHREDULPZ-QFIPXVFZSA-N
MW473.60 g/mol
LogP5.54
Rot. Bonds8

About 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (PubChem CID 23649246) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
PubChem CID23649246
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(NS(=O)(=O)CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C27H27N3O3S/c1-3-22(19-13-7-5-8-14-19)29-27(31)24-21-17-11-12-18-23(21)28-25(20-15-9-6-10-16-20)26(24)30-34(32,33)4-2/h5-18,22,30H,3-4H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyCVYJSSHREDULPZ-QFIPXVFZSA-N
XLogP5.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)propyl]-3-(methanesulfonamido)-2-phenylquinoline-4-carboxamide
CID 23649190
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10600296
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
CID 158520484
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid
CID 68702928
3-[2-[(2-amino-2-phenylacetyl)amino]ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 54177053
3-(1-amino-3-phenylpropoxy)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;hydrochloride
CID 174403514
3-methylsulfinyl-2-phenyl-N-[(1S)-1-pyridin-3-ylpropyl]quinoline-4-carboxamide
CID 53320156
2-[2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyethylcarbamoyl]benzoic acid
CID 20679019
3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 127048298
2-(3-fluorophenyl)-3-methylsulfinyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 53317131

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The IUPAC name of 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (CID 23649246) is 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The canonical SMILES for 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is CC[C@H](NC(=O)c1c(NS(=O)(=O)CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The InChIKey is CVYJSSHREDULPZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-3-22(19-13-7-5-8-14-19)29-27(31)24-21-17-11-12-18-23(21)28-25(20-15-9-6-10-16-20)26(24)30-34(32,33)4-2/h5-18,22,30H,3-4H2,1-2H3,(H,29,31)/t22-/m0/s1.
What are the key properties of 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is sourced from PubChem (CID 23649246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).