4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid

C14H19NO3S — CID 166270100

IUPAC4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H19NO3S/c1-9-7-11(8-19-9)13(16)15-12-4-2-3-10(5-6-12)14(17)18/h7-8,10,12H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyWRTGALXQVRMISF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.82
Rot. Bonds3

About 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid

4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 166270100) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID166270100
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H19NO3S/c1-9-7-11(8-19-9)13(16)15-12-4-2-3-10(5-6-12)14(17)18/h7-8,10,12H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyWRTGALXQVRMISF-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
ethane;5-methyl-N-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 145257142
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147878
3-[4-(cyclobutylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79692105
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921009
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 166270100) is 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid is Cc1cc(C(=O)NC2CCCC(C(=O)O)CC2)cs1.
What is the InChIKey of 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is WRTGALXQVRMISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-7-11(8-19-9)13(16)15-12-4-2-3-10(5-6-12)14(17)18/h7-8,10,12H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 166270100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).