N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide

C20H20N2O3S — CID 17445154

IUPACN-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C20H20N2O3S/c1-13(2)19-12-17(16-9-4-5-10-18(16)22-19)20(23)21-14-7-6-8-15(11-14)26(3,24)25/h4-13H,1-3H3,(H,21,23)
InChIKeyJMVZWOFDYXBONS-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.01
Rot. Bonds4

About N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide

N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 17445154) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
PubChem CID17445154
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C20H20N2O3S/c1-13(2)19-12-17(16-9-4-5-10-18(16)22-19)20(23)21-14-7-6-8-15(11-14)26(3,24)25/h4-13H,1-3H3,(H,21,23)
InChIKeyJMVZWOFDYXBONS-UHFFFAOYSA-N
XLogP4.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide (CID 17445154) is N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc2n1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is JMVZWOFDYXBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13(2)19-12-17(16-9-4-5-10-18(16)22-19)20(23)21-14-7-6-8-15(11-14)26(3,24)25/h4-13H,1-3H3,(H,21,23).
What are the key properties of N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide?
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 17445154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).