2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid

C15H15NO4S — CID 81121352

IUPAC2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
SMILESCOc1csc(C(=O)NCCc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-20-11-8-13(21-9-11)14(17)16-7-6-10-4-2-3-5-12(10)15(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyWJZLTXVHFHRINT-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.43
Rot. Bonds6

About 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid

2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid (PubChem CID 81121352) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
PubChem CID81121352
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
SMILESCOc1csc(C(=O)NCCc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-20-11-8-13(21-9-11)14(17)16-7-6-10-4-2-3-5-12(10)15(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyWJZLTXVHFHRINT-UHFFFAOYSA-N
XLogP2.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121353
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 79465562
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
CID 113274725

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid (CID 81121352) is 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid is COc1csc(C(=O)NCCc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is WJZLTXVHFHRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-11-8-13(21-9-11)14(17)16-7-6-10-4-2-3-5-12(10)15(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid?
2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 81121352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).