N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C24H29N3O4S — CID 16615607

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCC3Cc4ccccc4NC3=O)cc2)C1
InChIInChI=1S/C24H29N3O4S/c1-17-5-4-14-27(16-17)32(30,31)21-11-9-20(10-12-21)25-23(28)13-8-19-15-18-6-2-3-7-22(18)26-24(19)29/h2-3,6-7,9-12,17,19H,4-5,8,13-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyBEIIAAVSLYBCJL-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.64
Rot. Bonds6

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 16615607) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID16615607
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCC3Cc4ccccc4NC3=O)cc2)C1
InChIInChI=1S/C24H29N3O4S/c1-17-5-4-14-27(16-17)32(30,31)21-11-9-20(10-12-21)25-23(28)13-8-19-15-18-6-2-3-7-22(18)26-24(19)29/h2-3,6-7,9-12,17,19H,4-5,8,13-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyBEIIAAVSLYBCJL-UHFFFAOYSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621317
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615598
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 40786037
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide
CID 43043190
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 43035680
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24606088
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7116551
3-[4-(dimethylamino)phenyl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 24555453

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 16615607) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCC3Cc4ccccc4NC3=O)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is BEIIAAVSLYBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-5-4-14-27(16-17)32(30,31)21-11-9-20(10-12-21)25-23(28)13-8-19-15-18-6-2-3-7-22(18)26-24(19)29/h2-3,6-7,9-12,17,19H,4-5,8,13-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 455.58 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 16615607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).