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

C16H25NO2S — CID 64868487

IUPACN-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC2(O)CCCCC2)sc1C
InChIInChI=1S/C16H25NO2S/c1-3-7-13-10-14(20-12(13)2)15(18)17-11-16(19)8-5-4-6-9-16/h10,19H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyPJGJLKGZUDPVAW-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.43
Rot. Bonds5

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

N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 64868487) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID64868487
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC2(O)CCCCC2)sc1C
InChIInChI=1S/C16H25NO2S/c1-3-7-13-10-14(20-12(13)2)15(18)17-11-16(19)8-5-4-6-9-16/h10,19H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyPJGJLKGZUDPVAW-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
CID 64866994
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 114751448
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 104957169
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379
N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
CID 114951654

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide (CID 64868487) is N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NCC2(O)CCCCC2)sc1C.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is PJGJLKGZUDPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-7-13-10-14(20-12(13)2)15(18)17-11-16(19)8-5-4-6-9-16/h10,19H,3-9,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 64868487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).