N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide

C25H29N3O3S — CID 24617778

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C(C)C)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N3O3S/c1-17(2)24-16-22(21-6-4-5-7-23(21)27-24)25(29)26-19-12-14-28(15-13-19)32(30,31)20-10-8-18(3)9-11-20/h4-11,16-17,19H,12-15H2,1-3H3,(H,26,29)
InChIKeyZKXDNTHCDZKWPK-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 24617778) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID24617778
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C(C)C)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N3O3S/c1-17(2)24-16-22(21-6-4-5-7-23(21)27-24)25(29)26-19-12-14-28(15-13-19)32(30,31)20-10-8-18(3)9-11-20/h4-11,16-17,19H,12-15H2,1-3H3,(H,26,29)
InChIKeyZKXDNTHCDZKWPK-UHFFFAOYSA-N
XLogP4.25
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide
CID 112802302
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 86970649
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
CID 24617781
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26766469
3,4,5,6-tetrachloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 24652720
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide (CID 24617778) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C(C)C)nc4ccccc34)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is ZKXDNTHCDZKWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-17(2)24-16-22(21-6-4-5-7-23(21)27-24)25(29)26-19-12-14-28(15-13-19)32(30,31)20-10-8-18(3)9-11-20/h4-11,16-17,19H,12-15H2,1-3H3,(H,26,29).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 24617778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).