2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone

C16H15F2NOS — CID 62036847

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CN(Cc1ccsc1)C1CC1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NOS/c17-13-2-1-3-14(18)16(13)15(20)9-19(12-4-5-12)8-11-6-7-21-10-11/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyMDNAJGUOJDPCHR-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.87
Rot. Bonds6

About 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone (PubChem CID 62036847) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
PubChem CID62036847
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CN(Cc1ccsc1)C1CC1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NOS/c17-13-2-1-3-14(18)16(13)15(20)9-19(12-4-5-12)8-11-6-7-21-10-11/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyMDNAJGUOJDPCHR-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62036851
4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62036459
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036265
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-methyl-N-phenylacetamide
CID 60516192
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone (CID 62036847) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone is O=C(CN(Cc1ccsc1)C1CC1)c1c(F)cccc1F.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone?
The InChIKey is MDNAJGUOJDPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c17-13-2-1-3-14(18)16(13)15(20)9-19(12-4-5-12)8-11-6-7-21-10-11/h1-3,6-7,10,12H,4-5,8-9H2.
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone has a molecular weight of 307.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 62036847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).