N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide

C12H16N2O3S — CID 894343

IUPACN-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-2-6-11(7-3-9)18(16,17)13-8-12(15)14-10-4-5-10/h2-3,6-7,10,13H,4-5,8H2,1H3,(H,14,15)
InChIKeyZWXYFJPKIVNWHC-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.55
Rot. Bonds5

About N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide

N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 894343) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID894343
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-9-2-6-11(7-3-9)18(16,17)13-8-12(15)14-10-4-5-10/h2-3,6-7,10,13H,4-5,8H2,1H3,(H,14,15)
InChIKeyZWXYFJPKIVNWHC-UHFFFAOYSA-N
XLogP0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 894343) is N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is ZWXYFJPKIVNWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-2-6-11(7-3-9)18(16,17)13-8-12(15)14-10-4-5-10/h2-3,6-7,10,13H,4-5,8H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 894343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).