N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H28N2O5S — CID 46586668

IUPACN-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-16-8-10-24(11-9-16)30(26,27)21-6-4-18(5-7-21)22(25)23-15-17-12-19(28-2)14-20(13-17)29-3/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,23,25)
InChIKeyLACNYVJXYIORPH-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.05
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46586668) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46586668
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-16-8-10-24(11-9-16)30(26,27)21-6-4-18(5-7-21)22(25)23-15-17-12-19(28-2)14-20(13-17)29-3/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,23,25)
InChIKeyLACNYVJXYIORPH-UHFFFAOYSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55783694
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 55761276
2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591213
N-[(3-ethoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 53285618
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
2-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylbenzoyl]amino]acetic acid
CID 171349451
N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 55350935

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 46586668) is N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is LACNYVJXYIORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-8-10-24(11-9-16)30(26,27)21-6-4-18(5-7-21)22(25)23-15-17-12-19(28-2)14-20(13-17)29-3/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,23,25).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 432.54 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46586668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).