benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate

C15H15NO3S — CID 24819879

IUPACbenzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccsc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C15H15NO3S/c1-11-7-8-20-14(11)15(18)16-9-13(17)19-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeySNSHNXJAWJSQAO-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.53
Rot. Bonds5

About benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate

benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 24819879) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
PubChem CID24819879
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namebenzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccsc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C15H15NO3S/c1-11-7-8-20-14(11)15(18)16-9-13(17)19-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeySNSHNXJAWJSQAO-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate (CID 24819879) is benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate is Cc1ccsc1C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is SNSHNXJAWJSQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-7-8-20-14(11)15(18)16-9-13(17)19-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,18).
What are the key properties of benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate?
benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 289.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 24819879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).