N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide

C13H21NO3S2 — CID 18712153

IUPACN-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc(S(=O)(=O)C(C)C)s1
InChIInChI=1S/C13H21NO3S2/c1-8(2)10(5)14-13(15)11-6-7-12(18-11)19(16,17)9(3)4/h6-10H,1-5H3,(H,14,15)
InChIKeyYKFOLODUSXBIOJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.70
Rot. Bonds5

About N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide

N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 18712153) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID18712153
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC NameN-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc(S(=O)(=O)C(C)C)s1
InChIInChI=1S/C13H21NO3S2/c1-8(2)10(5)14-13(15)11-6-7-12(18-11)19(16,17)9(3)4/h6-10H,1-5H3,(H,14,15)
InChIKeyYKFOLODUSXBIOJ-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.70
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-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide (CID 18712153) is N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide is CC(C)C(C)NC(=O)c1ccc(S(=O)(=O)C(C)C)s1.
What is the InChIKey of N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is YKFOLODUSXBIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-8(2)10(5)14-13(15)11-6-7-12(18-11)19(16,17)9(3)4/h6-10H,1-5H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide?
N-(3-methylbutan-2-yl)-5-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.70, 5 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-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 18712153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).