5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide

C10H14BrNO2S — CID 115771703

IUPAC5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
SMILESCCN(CCCO)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-2-12(4-3-5-13)10(14)8-6-9(11)15-7-8/h6-7,13H,2-5H2,1H3
InChIKeyIGIFRDWXPAKFAY-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.36
Rot. Bonds5

About 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide

5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 115771703) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
PubChem CID115771703
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
SMILESCCN(CCCO)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-2-12(4-3-5-13)10(14)8-6-9(11)15-7-8/h6-7,13H,2-5H2,1H3
InChIKeyIGIFRDWXPAKFAY-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 114263702
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-ethylthiophene-3-carboxamide
CID 107961729
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
CID 61013447
5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
CID 63525816
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzamide
CID 115772086
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 115772041
N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
CID 102993520
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide (CID 115771703) is 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide is CCN(CCCO)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is IGIFRDWXPAKFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-2-12(4-3-5-13)10(14)8-6-9(11)15-7-8/h6-7,13H,2-5H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 115771703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).