2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C11H15BrN2O4S2 — CID 112991395

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCC1CCCO1
InChIInChI=1S/C11H15BrN2O4S2/c12-9-3-4-11(19-9)20(16,17)14-7-10(15)13-6-8-2-1-5-18-8/h3-4,8,14H,1-2,5-7H2,(H,13,15)
InChIKeyYSUJOYPYYNOGDU-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.08
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 112991395) has the molecular formula C11H15BrN2O4S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID112991395
Molecular FormulaC11H15BrN2O4S2
Molecular Weight383.29 g/mol
Exact Mass381.97
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCC1CCCO1
InChIInChI=1S/C11H15BrN2O4S2/c12-9-3-4-11(19-9)20(16,17)14-7-10(15)13-6-8-2-1-5-18-8/h3-4,8,14H,1-2,5-7H2,(H,13,15)
InChIKeyYSUJOYPYYNOGDU-UHFFFAOYSA-N
XLogP1.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991400
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
N-[[(2R)-oxolan-2-yl]methyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 1284754
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
(E)-3-(5-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 51148126
(2R)-2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95088984
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991399
5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 43520923

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 112991395) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NCC1CCCO1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YSUJOYPYYNOGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S2/c12-9-3-4-11(19-9)20(16,17)14-7-10(15)13-6-8-2-1-5-18-8/h3-4,8,14H,1-2,5-7H2,(H,13,15).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 383.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 112991395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).