2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid

C11H9NO3S2 — CID 79802577

IUPAC2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cscc1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H9NO3S2/c1-6-4-16-5-8(6)9(13)12-10-7(11(14)15)2-3-17-10/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyOYMRVVKNBVZJFR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.07
Rot. Bonds3

About 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid

2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 79802577) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID79802577
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cscc1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H9NO3S2/c1-6-4-16-5-8(6)9(13)12-10-7(11(14)15)2-3-17-10/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyOYMRVVKNBVZJFR-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
2-benzamidothiophene-3-carboxylic acid
CID 16639461
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802404
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357351
3-bromo-2-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802679
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoylamino]thiophene-3-carboxylic acid
CID 106435996
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 79802577) is 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cscc1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is OYMRVVKNBVZJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c1-6-4-16-5-8(6)9(13)12-10-7(11(14)15)2-3-17-10/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 79802577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).