N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide

C18H23N3O5S — CID 113055375

IUPACN-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(Cc2cccnc2)C(C)=O)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-14(22)21(13-15-5-4-8-19-12-15)10-9-20-27(23,24)16-6-7-17(25-2)18(11-16)26-3/h4-8,11-12,20H,9-10,13H2,1-3H3
InChIKeyJCOOVUXJDKBXLG-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.43
Rot. Bonds9

About N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide

N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113055375) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113055375
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(Cc2cccnc2)C(C)=O)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-14(22)21(13-15-5-4-8-19-12-15)10-9-20-27(23,24)16-6-7-17(25-2)18(11-16)26-3/h4-8,11-12,20H,9-10,13H2,1-3H3
InChIKeyJCOOVUXJDKBXLG-UHFFFAOYSA-N
XLogP1.43
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055400
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661338
N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052480
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055521
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
CID 113055347
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide (CID 113055375) is N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(S(=O)(=O)NCCN(Cc2cccnc2)C(C)=O)cc1OC.
What is the InChIKey of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JCOOVUXJDKBXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-14(22)21(13-15-5-4-8-19-12-15)10-9-20-27(23,24)16-6-7-17(25-2)18(11-16)26-3/h4-8,11-12,20H,9-10,13H2,1-3H3.
What are the key properties of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 1.43, 9 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)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113055375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).