N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide

C14H23NO2S — CID 65114379

IUPACN-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)(O)CC)sc1C
InChIInChI=1S/C14H23NO2S/c1-5-7-11-8-12(18-10(11)3)13(16)15-9-14(4,17)6-2/h8,17H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyYIEIWGACRPSDQC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.90
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 65114379) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID65114379
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)(O)CC)sc1C
InChIInChI=1S/C14H23NO2S/c1-5-7-11-8-12(18-10(11)3)13(16)15-9-14(4,17)6-2/h8,17H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyYIEIWGACRPSDQC-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65112566
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367795
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
2-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pentanoic acid
CID 104682696
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
CID 43238441
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 27760041
N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 64868487
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 114751448

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 65114379) is N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NCC(C)(O)CC)sc1C.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is YIEIWGACRPSDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-7-11-8-12(18-10(11)3)13(16)15-9-14(4,17)6-2/h8,17H,5-7,9H2,1-4H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 269.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 65114379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).