1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one

C17H18ClNOS — CID 62644705

IUPAC1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
SMILESO=C(CCN(Cc1ccsc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNOS/c18-16-4-2-1-3-15(16)17(20)7-9-19(14-5-6-14)11-13-8-10-21-12-13/h1-4,8,10,12,14H,5-7,9,11H2
InChIKeyJAVCQASYEAZEOT-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.64
Rot. Bonds7

About 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one

1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one (PubChem CID 62644705) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
PubChem CID62644705
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
SMILESO=C(CCN(Cc1ccsc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNOS/c18-16-4-2-1-3-15(16)17(20)7-9-19(14-5-6-14)11-13-8-10-21-12-13/h1-4,8,10,12,14H,5-7,9,11H2
InChIKeyJAVCQASYEAZEOT-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
CID 62644896
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
CID 62645176
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62644706
1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide
CID 63583264
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one (CID 62644705) is 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one is O=C(CCN(Cc1ccsc1)C1CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one?
The InChIKey is JAVCQASYEAZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c18-16-4-2-1-3-15(16)17(20)7-9-19(14-5-6-14)11-13-8-10-21-12-13/h1-4,8,10,12,14H,5-7,9,11H2.
What are the key properties of 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one?
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one has a molecular weight of 319.86 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62644705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).