5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide

C16H17BrN2O2S — CID 94042730

IUPAC5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2S/c1-3-19(4-2)16(21)11-5-7-13(8-6-11)18-15(20)12-9-14(17)22-10-12/h5-10H,3-4H2,1-2H3,(H,18,20)
InChIKeyWYOGIEZONBSUHX-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.24
Rot. Bonds5

About 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide

5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 94042730) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID94042730
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2S/c1-3-19(4-2)16(21)11-5-7-13(8-6-11)18-15(20)12-9-14(17)22-10-12/h5-10H,3-4H2,1-2H3,(H,18,20)
InChIKeyWYOGIEZONBSUHX-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide
CID 63524950
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 107966029
5-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 37436093
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
CID 2603913
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 9193061
N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26899424
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 94042730) is 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2csc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is WYOGIEZONBSUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-3-19(4-2)16(21)11-5-7-13(8-6-11)18-15(20)12-9-14(17)22-10-12/h5-10H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide?
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 94042730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).