1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone

C16H17NOS — CID 61434320

IUPAC1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C16H17NOS/c1-12(18)14-2-4-15(5-3-14)17(16-6-7-16)10-13-8-9-19-11-13/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyYJDNZFQJMMPZIW-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.12
Rot. Bonds5

About 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone

1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone (PubChem CID 61434320) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
PubChem CID61434320
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C16H17NOS/c1-12(18)14-2-4-15(5-3-14)17(16-6-7-16)10-13-8-9-19-11-13/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyYJDNZFQJMMPZIW-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone (CID 61434320) is 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone?
The InChIKey is YJDNZFQJMMPZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12(18)14-2-4-15(5-3-14)17(16-6-7-16)10-13-8-9-19-11-13/h2-5,8-9,11,16H,6-7,10H2,1H3.
What are the key properties of 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone?
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone has a molecular weight of 271.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 61434320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).