2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide

C10H13BrN2O3S2 — CID 61074023

IUPAC2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O3S2/c1-13(6-9(14)12-7-2-3-7)18(15,16)10-8(11)4-5-17-10/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyCXNWRXGFWHUXAZ-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.41
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide

2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 61074023) has the molecular formula C10H13BrN2O3S2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID61074023
Molecular FormulaC10H13BrN2O3S2
Molecular Weight353.26 g/mol
Exact Mass351.96
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O3S2/c1-13(6-9(14)12-7-2-3-7)18(15,16)10-8(11)4-5-17-10/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyCXNWRXGFWHUXAZ-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide
CID 61073569
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylate
CID 18148503
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 3245023
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclopropyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
CID 60724764
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 61074023) is 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is CXNWRXGFWHUXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S2/c1-13(6-9(14)12-7-2-3-7)18(15,16)10-8(11)4-5-17-10/h4-5,7H,2-3,6H2,1H3,(H,12,14).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 353.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 61074023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).