N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide

C22H23N3O3S — CID 42998438

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C22H23N3O3S/c1-16-5-4-14-25(15-16)29(27,28)19-11-9-18(10-12-19)23-22(26)21-13-8-17-6-2-3-7-20(17)24-21/h2-3,6-13,16H,4-5,14-15H2,1H3,(H,23,26)
InChIKeyNPVOAABJJADOCL-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.91
Rot. Bonds4

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide (PubChem CID 42998438) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
PubChem CID42998438
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C22H23N3O3S/c1-16-5-4-14-25(15-16)29(27,28)19-11-9-18(10-12-19)23-22(26)21-13-8-17-6-2-3-7-20(17)24-21/h2-3,6-13,16H,4-5,14-15H2,1H3,(H,23,26)
InChIKeyNPVOAABJJADOCL-UHFFFAOYSA-N
XLogP3.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55332921
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 41417441
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2139142
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3173793
5-(4-methylphenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043688
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide (CID 42998438) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide?
The InChIKey is NPVOAABJJADOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-5-4-14-25(15-16)29(27,28)19-11-9-18(10-12-19)23-22(26)21-13-8-17-6-2-3-7-20(17)24-21/h2-3,6-13,16H,4-5,14-15H2,1H3,(H,23,26).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide?
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide is sourced from PubChem (CID 42998438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).