5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid

C19H22N2O4S — CID 122110563

IUPAC5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)NCc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C19H22N2O4S/c1-19(2,3)11-21-17(23)13-6-4-12(5-7-13)16(22)20-10-14-8-9-15(26-14)18(24)25/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyAUTZKJHEWTXUMS-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.15
Rot. Bonds6

About 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110563) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110563
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)NCc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C19H22N2O4S/c1-19(2,3)11-21-17(23)13-6-4-12(5-7-13)16(22)20-10-14-8-9-15(26-14)18(24)25/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyAUTZKJHEWTXUMS-UHFFFAOYSA-N
XLogP3.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
5-[[(4-propan-2-ylbenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110529
5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110606
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110203
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
5-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110719
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110642
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103261480
5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122111081

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid (CID 122110563) is 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid is CC(C)(C)CNC(=O)c1ccc(C(=O)NCc2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is AUTZKJHEWTXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-19(2,3)11-21-17(23)13-6-4-12(5-7-13)16(22)20-10-14-8-9-15(26-14)18(24)25/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 374.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).