ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate

C16H17NO3S — CID 61410096

IUPACethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1csc2ccccc12)C1CC1
InChIInChI=1S/C16H17NO3S/c1-2-20-15(18)9-17(11-7-8-11)16(19)13-10-21-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3
InChIKeyJXSJZRHEVHRKAO-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.07
Rot. Bonds5

About ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate

ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate (PubChem CID 61410096) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate
PubChem CID61410096
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Nameethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1csc2ccccc12)C1CC1
InChIInChI=1S/C16H17NO3S/c1-2-20-15(18)9-17(11-7-8-11)16(19)13-10-21-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3
InChIKeyJXSJZRHEVHRKAO-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate?
The IUPAC name of ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate (CID 61410096) is ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate?
The canonical SMILES for ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate is CCOC(=O)CN(C(=O)c1csc2ccccc12)C1CC1.
What is the InChIKey of ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate?
The InChIKey is JXSJZRHEVHRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-20-15(18)9-17(11-7-8-11)16(19)13-10-21-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate?
ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate has a molecular weight of 303.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate is sourced from PubChem (CID 61410096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).