N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C20H26N2O4S2 — CID 24603453

IUPACN-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H26N2O4S2/c1-26-19-8-4-3-6-17(19)14-21(15-18-7-5-13-27-18)20(23)16-9-11-22(12-10-16)28(2,24)25/h3-8,13,16H,9-12,14-15H2,1-2H3
InChIKeyNUYKHSGAZGJPCW-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.96
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24603453) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24603453
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H26N2O4S2/c1-26-19-8-4-3-6-17(19)14-21(15-18-7-5-13-27-18)20(23)16-9-11-22(12-10-16)28(2,24)25/h3-8,13,16H,9-12,14-15H2,1-2H3
InChIKeyNUYKHSGAZGJPCW-UHFFFAOYSA-N
XLogP2.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-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

N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757691
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119268854
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 120617754
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51262138
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 24603453) is N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is COc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NUYKHSGAZGJPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-26-19-8-4-3-6-17(19)14-21(15-18-7-5-13-27-18)20(23)16-9-11-22(12-10-16)28(2,24)25/h3-8,13,16H,9-12,14-15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24603453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).