5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid

C18H18N2O4S — CID 122110839

IUPAC5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C18H18N2O4S/c1-20(17(22)11-6-7-11)14-5-3-2-4-13(14)16(21)19-10-12-8-9-15(25-12)18(23)24/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,21)(H,23,24)
InChIKeyAIJQOGLAMZAPKR-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.75
Rot. Bonds6

About 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110839) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110839
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C18H18N2O4S/c1-20(17(22)11-6-7-11)14-5-3-2-4-13(14)16(21)19-10-12-8-9-15(25-12)18(23)24/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,21)(H,23,24)
InChIKeyAIJQOGLAMZAPKR-UHFFFAOYSA-N
XLogP2.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110752
4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542790
2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119252709
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55961993
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 46494346
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 86855571
2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid
CID 62057527
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854
N-[2-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-N-methylcyclopropanecarboxamide
CID 78886695
2-[cyclopropanecarbonyl(methyl)amino]-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 60550823

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid (CID 122110839) is 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid is CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is AIJQOGLAMZAPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20(17(22)11-6-7-11)14-5-3-2-4-13(14)16(21)19-10-12-8-9-15(25-12)18(23)24/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).