2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid

C15H16N2O3S — CID 43357483

IUPAC2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
SMILESCN(C)Cc1ccc(C(=O)Nc2sccc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O3S/c1-17(2)9-10-3-5-11(6-4-10)13(18)16-14-12(15(19)20)7-8-21-14/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZFJLNFRVJJBWNL-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.76
Rot. Bonds5

About 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid

2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid (PubChem CID 43357483) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
PubChem CID43357483
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
SMILESCN(C)Cc1ccc(C(=O)Nc2sccc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O3S/c1-17(2)9-10-3-5-11(6-4-10)13(18)16-14-12(15(19)20)7-8-21-14/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZFJLNFRVJJBWNL-UHFFFAOYSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
3-[[2-[(4-ethylbenzoyl)amino]thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362961
4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
CID 142775988
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 3686157
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate
CID 7996489
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
5-bromo-2-[[3-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 23108103

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid (CID 43357483) is 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid is CN(C)Cc1ccc(C(=O)Nc2sccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is ZFJLNFRVJJBWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(2)9-10-3-5-11(6-4-10)13(18)16-14-12(15(19)20)7-8-21-14/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid?
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).