5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide

C11H14BrNO4S2 — CID 136532717

IUPAC5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)CC2CCCO2)csc1Br
InChIInChI=1S/C11H14BrNO4S2/c1-7-9(5-18-10(7)12)11(14)13-19(15,16)6-8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyXMXWAUFUSWEHNA-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.06
Rot. Bonds4

About 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide

5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide (PubChem CID 136532717) has the molecular formula C11H14BrNO4S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide
PubChem CID136532717
Molecular FormulaC11H14BrNO4S2
Molecular Weight368.27 g/mol
Exact Mass366.95
IUPAC Name5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)CC2CCCO2)csc1Br
InChIInChI=1S/C11H14BrNO4S2/c1-7-9(5-18-10(7)12)11(14)13-19(15,16)6-8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyXMXWAUFUSWEHNA-UHFFFAOYSA-N
XLogP2.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide
CID 134813247
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide
CID 95619167
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807012
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559
1-(3-fluorophenyl)-3-methyl-N-(oxan-2-ylmethylsulfonyl)pyrazole-4-carboxamide
CID 138045332
5-chloro-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 136562330
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide (CID 136532717) is 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide is Cc1c(C(=O)NS(=O)(=O)CC2CCCO2)csc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide?
The InChIKey is XMXWAUFUSWEHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S2/c1-7-9(5-18-10(7)12)11(14)13-19(15,16)6-8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide?
5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide is sourced from PubChem (CID 136532717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).