N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide

C14H23NO2S — CID 66178965

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)CC(C)C)sc1C
InChIInChI=1S/C14H23NO2S/c1-9(2)7-14(5,17)8-15-13(16)12-6-10(3)11(4)18-12/h6,9,17H,7-8H2,1-5H3,(H,15,16)
InChIKeyGWNCRXOKDIHPRK-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.89
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 66178965) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID66178965
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)CC(C)C)sc1C
InChIInChI=1S/C14H23NO2S/c1-9(2)7-14(5,17)8-15-13(16)12-6-10(3)11(4)18-12/h6,9,17H,7-8H2,1-5H3,(H,15,16)
InChIKeyGWNCRXOKDIHPRK-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65112566
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 111481571
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-[2-(diethylamino)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 86982985
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide (CID 66178965) is N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)(O)CC(C)C)sc1C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is GWNCRXOKDIHPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-9(2)7-14(5,17)8-15-13(16)12-6-10(3)11(4)18-12/h6,9,17H,7-8H2,1-5H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 269.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 66178965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).