3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide

C12H18BrNO2S — CID 63797282

IUPAC3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1sccc1Br
InChIInChI=1S/C12H18BrNO2S/c1-3-9(4-2)14(6-7-15)12(16)11-10(13)5-8-17-11/h5,8-9,15H,3-4,6-7H2,1-2H3
InChIKeyJEGRZMCYCUMAMJ-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.13
Rot. Bonds6

About 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide

3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide (PubChem CID 63797282) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
PubChem CID63797282
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1sccc1Br
InChIInChI=1S/C12H18BrNO2S/c1-3-9(4-2)14(6-7-15)12(16)11-10(13)5-8-17-11/h5,8-9,15H,3-4,6-7H2,1-2H3
InChIKeyJEGRZMCYCUMAMJ-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
CID 60778343
N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745480
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
4-(bromomethyl)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 102851517
1-(3-bromothiophen-2-yl)-2-hydroxybutan-1-one
CID 103453115
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide (CID 63797282) is 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide is CCC(CC)N(CCO)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
The InChIKey is JEGRZMCYCUMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-3-9(4-2)14(6-7-15)12(16)11-10(13)5-8-17-11/h5,8-9,15H,3-4,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide?
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 63797282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).