2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide

C9H12Br2N2O3S2 — CID 106339469

IUPAC2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O3S2/c1-13(2)18(15,16)4-3-12-9(14)6-5-7(10)17-8(6)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyBQDXEYCMMGBYQR-UHFFFAOYSA-N
MW420.15 g/mol
LogP1.89
Rot. Bonds5

About 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide

2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide (PubChem CID 106339469) has the molecular formula C9H12Br2N2O3S2 and a molecular weight of 420.15 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
PubChem CID106339469
Molecular FormulaC9H12Br2N2O3S2
Molecular Weight420.15 g/mol
Exact Mass417.87
IUPAC Name2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O3S2/c1-13(2)18(15,16)4-3-12-9(14)6-5-7(10)17-8(6)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyBQDXEYCMMGBYQR-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 114175557
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxybenzamide
CID 106339696
N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
CID 103673208
2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide
CID 103757999

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide (CID 106339469) is 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide?
The InChIKey is BQDXEYCMMGBYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O3S2/c1-13(2)18(15,16)4-3-12-9(14)6-5-7(10)17-8(6)11/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide?
2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide has a molecular weight of 420.15 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 106339469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).