2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

C15H19NO4S — CID 120545198

IUPAC2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)c1csc(C(=O)NC2(C)CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO4S/c1-9(17)10-7-12(21-8-10)13(18)16-15(2)6-4-3-5-11(15)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySZVPXHUNIZQUDO-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.71
Rot. Bonds4

About 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120545198) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120545198
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)c1csc(C(=O)NC2(C)CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO4S/c1-9(17)10-7-12(21-8-10)13(18)16-15(2)6-4-3-5-11(15)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySZVPXHUNIZQUDO-UHFFFAOYSA-N
XLogP2.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorothiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 154846768
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545600
2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545331
2-[(4-fluoro-3-methoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545433
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
2-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545390
2-[[4-(cyanomethyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546510
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546231

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 120545198) is 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC(=O)c1csc(C(=O)NC2(C)CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is SZVPXHUNIZQUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-9(17)10-7-12(21-8-10)13(18)16-15(2)6-4-3-5-11(15)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).