N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide

C12H19NO2S — CID 79808500

IUPACN-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cscc1C
InChIInChI=1S/C12H19NO2S/c1-3-4-5-13(6-7-14)12(15)11-9-16-8-10(11)2/h8-9,14H,3-7H2,1-2H3
InChIKeyWXKXWMOIHHDPQE-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.29
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide

N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide (PubChem CID 79808500) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
PubChem CID79808500
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cscc1C
InChIInChI=1S/C12H19NO2S/c1-3-4-5-13(6-7-14)12(15)11-9-16-8-10(11)2/h8-9,14H,3-7H2,1-2H3
InChIKeyWXKXWMOIHHDPQE-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110028178
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CID 79808703
N-butyl-N-(2-hydroxyethyl)-1-benzothiophene-3-carboxamide
CID 54942944
N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749456
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107872372
N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61448160
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
2-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 81112859
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
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2-methyl-N,N-dipentylbenzamide
CID 4576290

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide (CID 79808500) is N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide is CCCCN(CCO)C(=O)c1cscc1C.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
The InChIKey is WXKXWMOIHHDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-4-5-13(6-7-14)12(15)11-9-16-8-10(11)2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide?
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79808500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).