N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide

C17H21NO2S — CID 106180732

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-16(2,17(3,4)20)18-15(19)14-13(10-11-21-14)12-8-6-5-7-9-12/h5-11,20H,1-4H3,(H,18,19)
InChIKeyQHNCTOCLDWVHIX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.69
Rot. Bonds4

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide (PubChem CID 106180732) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
PubChem CID106180732
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-16(2,17(3,4)20)18-15(19)14-13(10-11-21-14)12-8-6-5-7-9-12/h5-11,20H,1-4H3,(H,18,19)
InChIKeyQHNCTOCLDWVHIX-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(Benzylcarbamoyl-methyl)-thiophen-2-yl]-2-oxoethyl EthylTrithiocarbonate
CID 24894896
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N-[(1R)-1-phenylethyl]-5-(2-propylsulfanylcarbothioylsulfanylacetyl)thiophene-2-carboxamide
CID 44568433
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CID 52992676
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CID 56682164
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N-butyl-4-thiophen-3-ylbenzamide
CID 155529683
N-benzoylthiophene-2-carboxamide
CID 102529800
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CID 6487782
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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide (CID 106180732) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide is CC(C)(O)C(C)(C)NC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide?
The InChIKey is QHNCTOCLDWVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-16(2,17(3,4)20)18-15(19)14-13(10-11-21-14)12-8-6-5-7-9-12/h5-11,20H,1-4H3,(H,18,19).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 106180732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).