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

C12H17BrN2O3S2 — CID 15992302

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCCC1
InChIInChI=1S/C12H17BrN2O3S2/c13-10-6-7-12(19-10)20(17,18)14-8-11(16)15-9-4-2-1-3-5-9/h6-7,9,14H,1-5,8H2,(H,15,16)
InChIKeyAKMPSDMZSJSRBM-UHFFFAOYSA-N
MW381.32 g/mol
LogP2.24
Rot. Bonds5

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

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide (PubChem CID 15992302) has the molecular formula C12H17BrN2O3S2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
PubChem CID15992302
Molecular FormulaC12H17BrN2O3S2
Molecular Weight381.32 g/mol
Exact Mass379.99
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCCC1
InChIInChI=1S/C12H17BrN2O3S2/c13-10-6-7-12(19-10)20(17,18)14-8-11(16)15-9-4-2-1-3-5-9/h6-7,9,14H,1-5,8H2,(H,15,16)
InChIKeyAKMPSDMZSJSRBM-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
N-cyclopentyl-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112990935
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 3245023
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide (CID 15992302) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCCC1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide?
The InChIKey is AKMPSDMZSJSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S2/c13-10-6-7-12(19-10)20(17,18)14-8-11(16)15-9-4-2-1-3-5-9/h6-7,9,14H,1-5,8H2,(H,15,16).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide has a molecular weight of 381.32 g/mol, XLogP of 2.24, 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-cyclohexylacetamide is sourced from PubChem (CID 15992302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).