2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide

C10H15BrN2O3S2 — CID 40751541

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O3S2/c1-3-12-9(14)7-13(4-2)18(15,16)10-6-5-8(11)17-10/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyHMZSFIHGLUKLNH-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.66
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 40751541) has the molecular formula C10H15BrN2O3S2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID40751541
Molecular FormulaC10H15BrN2O3S2
Molecular Weight355.28 g/mol
Exact Mass353.97
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O3S2/c1-3-12-9(14)7-13(4-2)18(15,16)10-6-5-8(11)17-10/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyHMZSFIHGLUKLNH-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-tert-butylacetamide
CID 40680174
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61072800
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 79386615
2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 5258347
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
3-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 54987817
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide (CID 40751541) is 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is HMZSFIHGLUKLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S2/c1-3-12-9(14)7-13(4-2)18(15,16)10-6-5-8(11)17-10/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 355.28 g/mol, XLogP of 1.66, 6 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-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 40751541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).