N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide

C16H15NO2S3 — CID 71804629

IUPACN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(C(O)c3cccs3)s2)c1
InChIInChI=1S/C16H15NO2S3/c1-10-7-14(21-9-10)16(19)17-8-11-4-5-13(22-11)15(18)12-3-2-6-20-12/h2-7,9,15,18H,8H2,1H3,(H,17,19)
InChIKeyJFRLBSQMVWYFNE-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.19
Rot. Bonds5

About N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 71804629) has the molecular formula C16H15NO2S3 and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID71804629
Molecular FormulaC16H15NO2S3
Molecular Weight349.50 g/mol
Exact Mass349.03
IUPAC NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(C(O)c3cccs3)s2)c1
InChIInChI=1S/C16H15NO2S3/c1-10-7-14(21-9-10)16(19)17-8-11-4-5-13(22-11)15(18)12-3-2-6-20-12/h2-7,9,15,18H,8H2,1H3,(H,17,19)
InChIKeyJFRLBSQMVWYFNE-UHFFFAOYSA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
N-[(S)-3-hydroxy-3-(2-thienyl)propyl]-4-methyl-2-thenamide
CID 96350392
N-({5-[(S)-hydroxy(3-thienyl)methyl]-2-thienyl}methyl)p-(trifluoromethyl)benzamide
CID 99882696
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-thenamide
CID 100724347
N-[(R)-2-hydroxy-2-(3-thienyl)ethyl]p-propylbenzamide
CID 52416809
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(methylthio)benzamide
CID 52992609
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 71781668
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-4-methylthiophene-2-carboxamide
CID 71782347
N-[3-Hydroxy-3-(thiophen-2-YL)propyl]thiophene-3-carboxamide
CID 71787789
4-methyl-N-((5-(thiophene-2-carbonyl)thiophen-2-yl)methyl)thiophene-2-carboxamide
CID 71803336
N-({5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl}methyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71804631
5-chloro-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)thiophene-2-carboxamide
CID 71804635

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide (CID 71804629) is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCc2ccc(C(O)c3cccs3)s2)c1.
What is the InChIKey of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is JFRLBSQMVWYFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S3/c1-10-7-14(21-9-10)16(19)17-8-11-4-5-13(22-11)15(18)12-3-2-6-20-12/h2-7,9,15,18H,8H2,1H3,(H,17,19).
What are the key properties of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide?
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71804629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).