2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide

C10H17ClN4O3S — CID 47298806

IUPAC2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-3-4-5-15(6-8(12)16)19(17,18)10-9(11)14(2)7-13-10/h7H,3-6H2,1-2H3,(H2,12,16)
InChIKeyQMVATFDPVPDKRG-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.35
Rot. Bonds7

About 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide

2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide (PubChem CID 47298806) has the molecular formula C10H17ClN4O3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide
PubChem CID47298806
Molecular FormulaC10H17ClN4O3S
Molecular Weight308.79 g/mol
Exact Mass308.07
IUPAC Name2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-3-4-5-15(6-8(12)16)19(17,18)10-9(11)14(2)7-13-10/h7H,3-6H2,1-2H3,(H2,12,16)
InChIKeyQMVATFDPVPDKRG-UHFFFAOYSA-N
XLogP0.35
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide (CID 47298806) is 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide?
The InChIKey is QMVATFDPVPDKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3S/c1-3-4-5-15(6-8(12)16)19(17,18)10-9(11)14(2)7-13-10/h7H,3-6H2,1-2H3,(H2,12,16).
What are the key properties of 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide?
2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide has a molecular weight of 308.79 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 47298806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).