N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C24H32N2O5S — CID 3434532

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cc1OC
InChIInChI=1S/C24H32N2O5S/c1-17-12-18(2)16-26(15-17)32(28,29)21-7-5-6-20(14-21)24(27)25-11-10-19-8-9-22(30-3)23(13-19)31-4/h5-9,13-14,17-18H,10-12,15-16H2,1-4H3,(H,25,27)
InChIKeyDUNWXJWDVUJCOX-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.34
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 3434532) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID3434532
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cc1OC
InChIInChI=1S/C24H32N2O5S/c1-17-12-18(2)16-26(15-17)32(28,29)21-7-5-6-20(14-21)24(27)25-11-10-19-8-9-22(30-3)23(13-19)31-4/h5-9,13-14,17-18H,10-12,15-16H2,1-4H3,(H,25,27)
InChIKeyDUNWXJWDVUJCOX-UHFFFAOYSA-N
XLogP3.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16548990
(3,4-dimethoxyphenyl)methyl 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 25388701
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407954
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533218
N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 15992744
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)propyl]benzamide
CID 120829858
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]benzamide
CID 89238310
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 3434532) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is DUNWXJWDVUJCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-17-12-18(2)16-26(15-17)32(28,29)21-7-5-6-20(14-21)24(27)25-11-10-19-8-9-22(30-3)23(13-19)31-4/h5-9,13-14,17-18H,10-12,15-16H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 460.60 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3434532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).