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

C15H17BrN2O2S — CID 60793021

IUPAC5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(2)9-10-20-12-5-3-11(4-6-12)17-15(19)13-7-8-14(16)21-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyUBXZLUQIDZLXCQ-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.70
Rot. Bonds6

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

5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide (PubChem CID 60793021) 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-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
PubChem CID60793021
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(2)9-10-20-12-5-3-11(4-6-12)17-15(19)13-7-8-14(16)21-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyUBXZLUQIDZLXCQ-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-3-carboxamide
CID 60793170
4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 122207547
5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 27229207
N-[1-(5-bromothiophen-2-yl)ethyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60999617
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
[4-[2-(dimethylamino)ethoxy]anilino]urea
CID 144637882
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
1-[(5-bromothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)urea
CID 25226709
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 121239429
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide (CID 60793021) is 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide is CN(C)CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is UBXZLUQIDZLXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-18(2)9-10-20-12-5-3-11(4-6-12)17-15(19)13-7-8-14(16)21-13/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 60793021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).