5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid

C13H10ClNO3S — CID 11392290

IUPAC5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3S/c14-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyRCYXVQVTMWWRLK-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.03
Rot. Bonds4

About 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 11392290) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID11392290
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3S/c14-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyRCYXVQVTMWWRLK-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-propan-2-ylbenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110529
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110563
5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110606
5-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110719
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
5-[[2-(4-chlorophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 20890227
5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43474930
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110203
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid (CID 11392290) is 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)s1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is RCYXVQVTMWWRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c14-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 295.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 11392290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).