N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride

C19H31ClN2O5S — CID 120887429

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)CS(=O)(=O)c2ccc(OC)cc2)CCNCC1.Cl
InChIInChI=1S/C19H30N2O5S.ClH/c1-15(12-27(23,24)17-6-4-16(26-3)5-7-17)18(22)21-13-19(14-25-2)8-10-20-11-9-19;/h4-7,15,20H,8-14H2,1-3H3,(H,21,22);1H
InChIKeyTVKSHMBOGQHSRM-UHFFFAOYSA-N
MW434.99 g/mol
LogP1.66
Rot. Bonds9

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride (PubChem CID 120887429) has the molecular formula C19H31ClN2O5S and a molecular weight of 434.99 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride
PubChem CID120887429
Molecular FormulaC19H31ClN2O5S
Molecular Weight434.99 g/mol
Exact Mass434.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)CS(=O)(=O)c2ccc(OC)cc2)CCNCC1.Cl
InChIInChI=1S/C19H30N2O5S.ClH/c1-15(12-27(23,24)17-6-4-16(26-3)5-7-17)18(22)21-13-19(14-25-2)8-10-20-11-9-19;/h4-7,15,20H,8-14H2,1-3H3,(H,21,22);1H
InChIKeyTVKSHMBOGQHSRM-UHFFFAOYSA-N
XLogP1.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride 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-(3,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890512
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120887299
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 120890633
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120888880
3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510894
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120890400
2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888337
2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890520
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride (CID 120887429) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride is COCC1(CNC(=O)C(C)CS(=O)(=O)c2ccc(OC)cc2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride?
The InChIKey is TVKSHMBOGQHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S.ClH/c1-15(12-27(23,24)17-6-4-16(26-3)5-7-17)18(22)21-13-19(14-25-2)8-10-20-11-9-19;/h4-7,15,20H,8-14H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride has a molecular weight of 434.99 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 120887429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).