N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide

C19H25NO5S — CID 47931855

IUPACN-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(O)COc2c(OC)cccc2OC)sc1C
InChIInChI=1S/C19H25NO5S/c1-5-13-9-17(26-12(13)2)19(22)20-10-14(21)11-25-18-15(23-3)7-6-8-16(18)24-4/h6-9,14,21H,5,10-11H2,1-4H3,(H,20,22)
InChIKeyKRTOVVXLSWNDMX-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.81
Rot. Bonds9

About N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide

N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 47931855) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID47931855
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(O)COc2c(OC)cccc2OC)sc1C
InChIInChI=1S/C19H25NO5S/c1-5-13-9-17(26-12(13)2)19(22)20-10-14(21)11-25-18-15(23-3)7-6-8-16(18)24-4/h6-9,14,21H,5,10-11H2,1-4H3,(H,20,22)
InChIKeyKRTOVVXLSWNDMX-UHFFFAOYSA-N
XLogP2.81
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide
CID 47931716
N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 47931599
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
CID 56552786
4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 24551130
4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120829701
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 55454281
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
4-ethyl-5-methyl-N-(2-propoxyphenyl)thiophene-2-carboxamide
CID 30235573
4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37363004
1-[(2R)-3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52531269

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide (CID 47931855) is N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCC(O)COc2c(OC)cccc2OC)sc1C.
What is the InChIKey of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is KRTOVVXLSWNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-5-13-9-17(26-12(13)2)19(22)20-10-14(21)11-25-18-15(23-3)7-6-8-16(18)24-4/h6-9,14,21H,5,10-11H2,1-4H3,(H,20,22).
What are the key properties of N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide?
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47931855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).