5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide

C15H17BrN2O2S — CID 60793170

IUPAC5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(2)7-8-20-13-5-3-12(4-6-13)17-15(19)11-9-14(16)21-10-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyVQFOELVYBUBAFH-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.70
Rot. Bonds6

About 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide

5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide (PubChem CID 60793170) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
PubChem CID60793170
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(2)7-8-20-13-5-3-12(4-6-13)17-15(19)11-9-14(16)21-10-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyVQFOELVYBUBAFH-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 122207547
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 87006893
5-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 37436093
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730
N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,1,3,3-tetramethyl-2H-indene-5-carboxamide
CID 19760314
5-iodo-N-(4-propoxyphenyl)thiophene-3-carboxamide
CID 79693136
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 107966029
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 121239429
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107963980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide (CID 60793170) is 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide is CN(C)CCOc1ccc(NC(=O)c2csc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is VQFOELVYBUBAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-18(2)7-8-20-13-5-3-12(4-6-13)17-15(19)11-9-14(16)21-10-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide?
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 369.28 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 60793170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).