2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide

C13H19BrN2O3S2 — CID 22427324

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCCCC1
InChIInChI=1S/C13H19BrN2O3S2/c14-11-7-8-13(20-11)21(18,19)15-9-12(17)16-10-5-3-1-2-4-6-10/h7-8,10,15H,1-6,9H2,(H,16,17)
InChIKeyZMCZESJOGYSKDL-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.63
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide (PubChem CID 22427324) has the molecular formula C13H19BrN2O3S2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide
PubChem CID22427324
Molecular FormulaC13H19BrN2O3S2
Molecular Weight395.34 g/mol
Exact Mass394.00
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCCCC1
InChIInChI=1S/C13H19BrN2O3S2/c14-11-7-8-13(20-11)21(18,19)15-9-12(17)16-10-5-3-1-2-4-6-10/h7-8,10,15H,1-6,9H2,(H,16,17)
InChIKeyZMCZESJOGYSKDL-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide (CID 22427324) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCCCC1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide?
The InChIKey is ZMCZESJOGYSKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S2/c14-11-7-8-13(20-11)21(18,19)15-9-12(17)16-10-5-3-1-2-4-6-10/h7-8,10,15H,1-6,9H2,(H,16,17).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide has a molecular weight of 395.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 22427324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).