N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide

C10H15NO3S2 — CID 96531023

IUPACN-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide
SMILESCC[C@@H](C)CS(=O)(=O)NC(=O)c1cccs1
InChIInChI=1S/C10H15NO3S2/c1-3-8(2)7-16(13,14)11-10(12)9-5-4-6-15-9/h4-6,8H,3,7H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyXCKQSLNRNDDXNT-MRVPVSSYSA-N
MW261.37 g/mol
LogP1.85
Rot. Bonds5

About N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide

N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide (PubChem CID 96531023) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide
PubChem CID96531023
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC NameN-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide
SMILESCC[C@@H](C)CS(=O)(=O)NC(=O)c1cccs1
InChIInChI=1S/C10H15NO3S2/c1-3-8(2)7-16(13,14)11-10(12)9-5-4-6-15-9/h4-6,8H,3,7H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyXCKQSLNRNDDXNT-MRVPVSSYSA-N
XLogP1.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylbutylsulfonyl)-1-thiophen-2-ylbutan-1-one
CID 107767773
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617065
2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone
CID 107752740
N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
CID 14552701
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide
CID 86997903
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546
N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
CID 130638279
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide (CID 96531023) is N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide is CC[C@@H](C)CS(=O)(=O)NC(=O)c1cccs1.
What is the InChIKey of N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide?
The InChIKey is XCKQSLNRNDDXNT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-3-8(2)7-16(13,14)11-10(12)9-5-4-6-15-9/h4-6,8H,3,7H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide?
N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 96531023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).