2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid

C15H15NO4S — CID 81121334

IUPAC2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid
SMILESCOc1csc(C(=O)Nc2c(C)cc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-8-4-9(2)13(11(5-8)15(18)19)16-14(17)12-6-10(20-3)7-21-12/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyRETCNJAHAWSQIP-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.32
Rot. Bonds4

About 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid

2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid (PubChem CID 81121334) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid
PubChem CID81121334
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid
SMILESCOc1csc(C(=O)Nc2c(C)cc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-8-4-9(2)13(11(5-8)15(18)19)16-14(17)12-6-10(20-3)7-21-12/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyRETCNJAHAWSQIP-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81117783
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
CID 63112144
2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121352
3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
CID 66475891
[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
CID 172680009
2-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzoic acid
CID 55176727
3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 63112624
3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoic acid
CID 63112729

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid?
The IUPAC name of 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid (CID 81121334) is 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid is COc1csc(C(=O)Nc2c(C)cc(C)cc2C(=O)O)c1.
What is the InChIKey of 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid?
The InChIKey is RETCNJAHAWSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-8-4-9(2)13(11(5-8)15(18)19)16-14(17)12-6-10(20-3)7-21-12/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid?
2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid has a molecular weight of 305.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 81121334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).