N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C23H30N4O3S2 — CID 47090643

IUPACN-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(CN2CCSCC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H30N4O3S2/c1-18-15-19(17-26-11-13-31-14-12-26)4-5-22(18)25-23(28)20-6-9-27(10-7-20)32(29,30)21-3-2-8-24-16-21/h2-5,8,15-16,20H,6-7,9-14,17H2,1H3,(H,25,28)
InChIKeyQRWUAZHHASUAMF-UHFFFAOYSA-N
MW474.65 g/mol
LogP2.98
Rot. Bonds6

About N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 47090643) has the molecular formula C23H30N4O3S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID47090643
Molecular FormulaC23H30N4O3S2
Molecular Weight474.65 g/mol
Exact Mass474.18
IUPAC NameN-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(CN2CCSCC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H30N4O3S2/c1-18-15-19(17-26-11-13-31-14-12-26)4-5-22(18)25-23(28)20-6-9-27(10-7-20)32(29,30)21-3-2-8-24-16-21/h2-5,8,15-16,20H,6-7,9-14,17H2,1H3,(H,25,28)
InChIKeyQRWUAZHHASUAMF-UHFFFAOYSA-N
XLogP2.98
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-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

1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851605
N-[4-(cyanomethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30894570
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 30885823
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46476797
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 47090643) is N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is Cc1cc(CN2CCSCC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is QRWUAZHHASUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S2/c1-18-15-19(17-26-11-13-31-14-12-26)4-5-22(18)25-23(28)20-6-9-27(10-7-20)32(29,30)21-3-2-8-24-16-21/h2-5,8,15-16,20H,6-7,9-14,17H2,1H3,(H,25,28).
What are the key properties of N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 474.65 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47090643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).