2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide

C15H18N2OS — CID 65475664

IUPAC2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc2sccc2c1)C1CC1
InChIInChI=1S/C15H18N2OS/c1-2-17(13-4-5-13)15(18)10-16-12-3-6-14-11(9-12)7-8-19-14/h3,6-9,13,16H,2,4-5,10H2,1H3
InChIKeyAHMUOGZMRKCPEN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.32
Rot. Bonds5

About 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide

2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide (PubChem CID 65475664) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
PubChem CID65475664
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc2sccc2c1)C1CC1
InChIInChI=1S/C15H18N2OS/c1-2-17(13-4-5-13)15(18)10-16-12-3-6-14-11(9-12)7-8-19-14/h3,6-9,13,16H,2,4-5,10H2,1H3
InChIKeyAHMUOGZMRKCPEN-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide (CID 65475664) is 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CNc1ccc2sccc2c1)C1CC1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is AHMUOGZMRKCPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-17(13-4-5-13)15(18)10-16-12-3-6-14-11(9-12)7-8-19-14/h3,6-9,13,16H,2,4-5,10H2,1H3.
What are the key properties of 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide?
2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 274.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 65475664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).