N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H30N2O6S — CID 55654076

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)c1
InChIInChI=1S/C23H30N2O6S/c1-16-6-4-5-13-25(16)32(28,29)19-10-7-17(8-11-19)23(27)24-15-21(26)20-14-18(30-2)9-12-22(20)31-3/h7-12,14,16,21,26H,4-6,13,15H2,1-3H3,(H,24,27)
InChIKeyNTXNDVQIZYWMCJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55654076) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55654076
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)c1
InChIInChI=1S/C23H30N2O6S/c1-16-6-4-5-13-25(16)32(28,29)19-10-7-17(8-11-19)23(27)24-15-21(26)20-14-18(30-2)9-12-22(20)31-3/h7-12,14,16,21,26H,4-6,13,15H2,1-3H3,(H,24,27)
InChIKeyNTXNDVQIZYWMCJ-UHFFFAOYSA-N
XLogP2.73
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
CID 55852779
N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46436540
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55388786
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46485568
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
N-[(2S)-2-ethoxy-2-phenylethyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 124859057
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55654076) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(OC)c(C(O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is NTXNDVQIZYWMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-16-6-4-5-13-25(16)32(28,29)19-10-7-17(8-11-19)23(27)24-15-21(26)20-14-18(30-2)9-12-22(20)31-3/h7-12,14,16,21,26H,4-6,13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55654076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).