N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide

C14H21NO2S — CID 115878236

IUPACN-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC2(CO)CCC2)sc1C
InChIInChI=1S/C14H21NO2S/c1-3-5-11-8-12(18-10(11)2)13(17)15-14(9-16)6-4-7-14/h8,16H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyQYCOIBKUPQPTBY-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.65
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 115878236) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID115878236
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC2(CO)CCC2)sc1C
InChIInChI=1S/C14H21NO2S/c1-3-5-11-8-12(18-10(11)2)13(17)15-14(9-16)6-4-7-14/h8,16H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyQYCOIBKUPQPTBY-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 62528051
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
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103881158
2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
N-[1-(hydroxymethyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115877894
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 104957169
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide (CID 115878236) is N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NC2(CO)CCC2)sc1C.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is QYCOIBKUPQPTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-5-11-8-12(18-10(11)2)13(17)15-14(9-16)6-4-7-14/h8,16H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 115878236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).