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

C17H27NO2S — CID 64866994

IUPAC4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCC2(O)CCCCC2)cc1CC
InChIInChI=1S/C17H27NO2S/c1-3-8-14-13(4-2)11-15(21-14)16(19)18-12-17(20)9-6-5-7-10-17/h11,20H,3-10,12H2,1-2H3,(H,18,19)
InChIKeyGMLVYFGCEOWMMI-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.69
Rot. Bonds6

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

4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide (PubChem CID 64866994) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
PubChem CID64866994
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCC2(O)CCCCC2)cc1CC
InChIInChI=1S/C17H27NO2S/c1-3-8-14-13(4-2)11-15(21-14)16(19)18-12-17(20)9-6-5-7-10-17/h11,20H,3-10,12H2,1-2H3,(H,18,19)
InChIKeyGMLVYFGCEOWMMI-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.69
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
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 55806350
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
4-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119511984
N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78995131
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 114751448
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 9035628
2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698479

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide (CID 64866994) is 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NCC2(O)CCCCC2)cc1CC.
What is the InChIKey of 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide?
The InChIKey is GMLVYFGCEOWMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-8-14-13(4-2)11-15(21-14)16(19)18-12-17(20)9-6-5-7-10-17/h11,20H,3-10,12H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 64866994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).