2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide

C23H29ClN2O5S — CID 24979464

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC
InChIInChI=1S/C23H29ClN2O5S/c1-25(14-11-17-7-10-21(30-2)22(15-17)31-3)23(27)19-16-18(8-9-20(19)24)32(28,29)26-12-5-4-6-13-26/h7-10,15-16H,4-6,11-14H2,1-3H3
InChIKeyZMGLPYLYBZEGFD-UHFFFAOYSA-N
MW481.01 g/mol
LogP3.85
Rot. Bonds8

About 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 24979464) has the molecular formula C23H29ClN2O5S and a molecular weight of 481.01 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID24979464
Molecular FormulaC23H29ClN2O5S
Molecular Weight481.01 g/mol
Exact Mass480.15
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC
InChIInChI=1S/C23H29ClN2O5S/c1-25(14-11-17-7-10-21(30-2)22(15-17)31-3)23(27)19-16-18(8-9-20(19)24)32(28,29)26-12-5-4-6-13-26/h7-10,15-16H,4-6,11-14H2,1-3H3
InChIKeyZMGLPYLYBZEGFD-UHFFFAOYSA-N
XLogP3.85
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.01
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 24979464) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZMGLPYLYBZEGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O5S/c1-25(14-11-17-7-10-21(30-2)22(15-17)31-3)23(27)19-16-18(8-9-20(19)24)32(28,29)26-12-5-4-6-13-26/h7-10,15-16H,4-6,11-14H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 481.01 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24979464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).