N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide

C11H17NO3S2 — CID 18712156

IUPACN-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C11H17NO3S2/c1-7(2)8(3)12-11(13)9-5-6-10(16-9)17(4,14)15/h5-8H,1-4H3,(H,12,13)
InChIKeyMRARLHSZLINTQQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.93
Rot. Bonds4

About N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide

N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide (PubChem CID 18712156) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide
PubChem CID18712156
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C11H17NO3S2/c1-7(2)8(3)12-11(13)9-5-6-10(16-9)17(4,14)15/h5-8H,1-4H3,(H,12,13)
InChIKeyMRARLHSZLINTQQ-UHFFFAOYSA-N
XLogP1.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide (CID 18712156) is N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide is CC(C)C(C)NC(=O)c1ccc(S(C)(=O)=O)s1.
What is the InChIKey of N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide?
The InChIKey is MRARLHSZLINTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-7(2)8(3)12-11(13)9-5-6-10(16-9)17(4,14)15/h5-8H,1-4H3,(H,12,13).
What are the key properties of N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide?
N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-5-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 18712156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).