2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

C25H23N3O3S — CID 2080681

IUPAC2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N3O3S/c1-17-6-10-19(11-7-17)24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-18-8-12-20(13-9-18)32(26,30)31/h2-13,16H,14-15H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyUUYSYWCUZMIJRL-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 2080681) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID2080681
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N3O3S/c1-17-6-10-19(11-7-17)24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-18-8-12-20(13-9-18)32(26,30)31/h2-13,16H,14-15H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyUUYSYWCUZMIJRL-UHFFFAOYSA-N
XLogP3.83
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pavinetant
CID 23649245
SB 222200
CID 6604009
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
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CID 775717
4-Quinolinecarboxamide, N-((S)-cyclopropylphenylmethyl)-3-((methyl(methylsulfonyl)amino)methyl)-2-phenyl-
CID 44570980
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CID 49843456
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CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
(E)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)acrylamide
CID 10210579
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-phenylquinoline-4-carboxamide
CID 11569867
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767252
Cambridge id 7007502
CID 753478

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (CID 2080681) is 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is UUYSYWCUZMIJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-17-6-10-19(11-7-17)24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-18-8-12-20(13-9-18)32(26,30)31/h2-13,16H,14-15H2,1H3,(H,27,29)(H2,26,30,31).
What are the key properties of 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 2080681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).