5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide

C13H16BrNO2S3 — CID 79995810

IUPAC5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C13H16BrNO2S3/c1-8-6-12(19-13(8)14)20(16,17)15-9(2)7-11-5-4-10(3)18-11/h4-6,9,15H,7H2,1-3H3
InChIKeySTZQRLGNLOAPRF-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.10
Rot. Bonds5

About 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide

5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide (PubChem CID 79995810) has the molecular formula C13H16BrNO2S3 and a molecular weight of 394.38 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
PubChem CID79995810
Molecular FormulaC13H16BrNO2S3
Molecular Weight394.38 g/mol
Exact Mass392.95
IUPAC Name5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C13H16BrNO2S3/c1-8-6-12(19-13(8)14)20(16,17)15-9(2)7-11-5-4-10(3)18-11/h4-6,9,15H,7H2,1-3H3
InChIKeySTZQRLGNLOAPRF-UHFFFAOYSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
CID 79995355
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
CID 81258877
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
CID 113271709
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide
CID 106068979

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide (CID 79995810) is 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide is Cc1ccc(CC(C)NS(=O)(=O)c2cc(C)c(Br)s2)s1.
What is the InChIKey of 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is STZQRLGNLOAPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2S3/c1-8-6-12(19-13(8)14)20(16,17)15-9(2)7-11-5-4-10(3)18-11/h4-6,9,15H,7H2,1-3H3.
What are the key properties of 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 394.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 79995810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).