N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

C15H22N2O3S — CID 113052189

IUPACN-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1C)C1CC1
InChIInChI=1S/C15H22N2O3S/c1-11-4-7-15(12(2)10-11)21(19,20)16-8-9-17(13(3)18)14-5-6-14/h4,7,10,14,16H,5-6,8-9H2,1-3H3
InChIKeyXGTSRGHUFGBSFI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.59
Rot. Bonds6

About N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113052189) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113052189
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1C)C1CC1
InChIInChI=1S/C15H22N2O3S/c1-11-4-7-15(12(2)10-11)21(19,20)16-8-9-17(13(3)18)14-5-6-14/h4,7,10,14,16H,5-6,8-9H2,1-3H3
InChIKeyXGTSRGHUFGBSFI-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 113052189) is N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is XGTSRGHUFGBSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-7-15(12(2)10-11)21(19,20)16-8-9-17(13(3)18)14-5-6-14/h4,7,10,14,16H,5-6,8-9H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113052189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).