N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide

C34H33N3O5S2 — CID 10153372

IUPACN-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(c1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)N(C(=O)c1cccnc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C34H33N3O5S2/c1-23(37(33(38)27-12-7-17-35-22-27)29-13-15-30(16-14-29)43(4,39)40)24-9-6-10-25(19-24)31-21-28(34(2,3)44(5,41)42)20-26-11-8-18-36-32(26)31/h6-23H,1-5H3
InChIKeyQIESARUEQVCDIR-UHFFFAOYSA-N
MW627.79 g/mol
LogP6.39
Rot. Bonds8

About N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide

N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 10153372) has the molecular formula C34H33N3O5S2 and a molecular weight of 627.79 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide
PubChem CID10153372
Molecular FormulaC34H33N3O5S2
Molecular Weight627.79 g/mol
Exact Mass627.19
IUPAC NameN-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(c1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)N(C(=O)c1cccnc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C34H33N3O5S2/c1-23(37(33(38)27-12-7-17-35-22-27)29-13-15-30(16-14-29)43(4,39)40)24-9-6-10-25(19-24)31-21-28(34(2,3)44(5,41)42)20-26-11-8-18-36-32(26)31/h6-23H,1-5H3
InChIKeyQIESARUEQVCDIR-UHFFFAOYSA-N
XLogP6.39
TPSA114.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-{3-[6-(Cyano-dimethyl-methyl)-quinolin-8-yl]-benzyl}-N-(4-methanesulfonyl-phenyl)-benzamide
CID 10128917
N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)cyclopropanecarboxamide
CID 10129145
2-(4-(Methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)-1-(pyridin-3-yl)propan-1-one
CID 10167862
4-fluoro-N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)benzamide
CID 10197046
(E)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)acrylamide
CID 10210579
4-(2-hydroxypropan-2-yl)-N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)benzamide
CID 10312566
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide
CID 21865580
N-(4-(methylsulfonyl)phenyl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865627
Quinolinium, 1,6-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
CID 206458
(E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(methylsulfonyl)phenyl)acrylamide
CID 22083784
1-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)propan-1-one
CID 10168172
N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)acetamide
CID 10289786

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide (CID 10153372) is N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide is CC(c1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)N(C(=O)c1cccnc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is QIESARUEQVCDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O5S2/c1-23(37(33(38)27-12-7-17-35-22-27)29-13-15-30(16-14-29)43(4,39)40)24-9-6-10-25(19-24)31-21-28(34(2,3)44(5,41)42)20-26-11-8-18-36-32(26)31/h6-23H,1-5H3.
What are the key properties of N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide?
N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 627.79 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-N-[1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 10153372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).