2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide

C13H19BrN2O3S2 — CID 3245023

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H19BrN2O3S2/c1-16(21(18,19)13-8-7-11(14)20-13)9-12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,17)
InChIKeyUGLWOMVXAUVMOF-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.58
Rot. Bonds5

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

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide (PubChem CID 3245023) has the molecular formula C13H19BrN2O3S2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
PubChem CID3245023
Molecular FormulaC13H19BrN2O3S2
Molecular Weight395.34 g/mol
Exact Mass394.00
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H19BrN2O3S2/c1-16(21(18,19)13-8-7-11(14)20-13)9-12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,17)
InChIKeyUGLWOMVXAUVMOF-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15996234
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide (CID 3245023) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide is CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide?
The InChIKey is UGLWOMVXAUVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S2/c1-16(21(18,19)13-8-7-11(14)20-13)9-12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,17).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide has a molecular weight of 395.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 3245023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).