N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C21H26N2O6S — CID 2327087

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-27-19-7-6-16(14-20(19)28-2)8-9-22-21(24)17-4-3-5-18(15-17)30(25,26)23-10-12-29-13-11-23/h3-7,14-15H,8-13H2,1-2H3,(H,22,24)
InChIKeyDCMJPISSFQKVRD-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.70
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2327087) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2327087
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-27-19-7-6-16(14-20(19)28-2)8-9-22-21(24)17-4-3-5-18(15-17)30(25,26)23-10-12-29-13-11-23/h3-7,14-15H,8-13H2,1-2H3,(H,22,24)
InChIKeyDCMJPISSFQKVRD-UHFFFAOYSA-N
XLogP1.70
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 2327087) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DCMJPISSFQKVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-19-7-6-16(14-20(19)28-2)8-9-22-21(24)17-4-3-5-18(15-17)30(25,26)23-10-12-29-13-11-23/h3-7,14-15H,8-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 434.51 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2327087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).