3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid

C15H15NO3S — CID 75356313

IUPAC3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
SMILESCc1cscc1C(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO3S/c1-10-8-20-9-13(10)14(17)16-6-5-11-3-2-4-12(7-11)15(18)19/h2-4,7-9H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyQDCVPOXXALTCPS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.73
Rot. Bonds5

About 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid

3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid (PubChem CID 75356313) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
PubChem CID75356313
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
SMILESCc1cscc1C(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO3S/c1-10-8-20-9-13(10)14(17)16-6-5-11-3-2-4-12(7-11)15(18)19/h2-4,7-9H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyQDCVPOXXALTCPS-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
CID 63793514
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
3-[2-[(3-methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 63795456
3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
CID 120689485
3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042
3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 55235306
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
3-[2-(propan-2-yloxycarbonylamino)ethyl]benzoic acid
CID 63795289

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid (CID 75356313) is 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid is Cc1cscc1C(=O)NCCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is QDCVPOXXALTCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-8-20-9-13(10)14(17)16-6-5-11-3-2-4-12(7-11)15(18)19/h2-4,7-9H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid?
3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 289.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 75356313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).