N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

C13H18N2O5S — CID 894186

IUPACN-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1OC
InChIInChI=1S/C13H18N2O5S/c1-19-11-6-5-10(7-12(11)20-2)21(17,18)14-8-13(16)15-9-3-4-9/h5-7,9,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyBJFFMNIVBSQGBB-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.26
Rot. Bonds7

About N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide

N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (PubChem CID 894186) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
PubChem CID894186
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1OC
InChIInChI=1S/C13H18N2O5S/c1-19-11-6-5-10(7-12(11)20-2)21(17,18)14-8-13(16)15-9-3-4-9/h5-7,9,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyBJFFMNIVBSQGBB-UHFFFAOYSA-N
XLogP0.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide (CID 894186) is N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is BJFFMNIVBSQGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-11-6-5-10(7-12(11)20-2)21(17,18)14-8-13(16)15-9-3-4-9/h5-7,9,14H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide?
N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 314.36 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).