N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide

C15H23NO2S — CID 114751448

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC2(CCO)CC2)sc1C
InChIInChI=1S/C15H23NO2S/c1-3-4-12-9-13(19-11(12)2)14(18)16-10-15(5-6-15)7-8-17/h9,17H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyPSHAJFVGTWKIRK-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.90
Rot. Bonds7

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 114751448) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID114751448
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC2(CCO)CC2)sc1C
InChIInChI=1S/C15H23NO2S/c1-3-4-12-9-13(19-11(12)2)14(18)16-10-15(5-6-15)7-8-17/h9,17H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyPSHAJFVGTWKIRK-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 64868487
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114751464
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379
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
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
N-[[1-(bromomethyl)cyclopropyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 115456441

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide (CID 114751448) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NCC2(CCO)CC2)sc1C.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is PSHAJFVGTWKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-12-9-13(19-11(12)2)14(18)16-10-15(5-6-15)7-8-17/h9,17H,3-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 114751448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).