3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one

C17H20ClNOS — CID 46231948

IUPAC3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCC(C)N(CCC(=O)c1ccc(Cl)s1)Cc1ccccc1
InChIInChI=1S/C17H20ClNOS/c1-13(2)19(12-14-6-4-3-5-7-14)11-10-15(20)16-8-9-17(18)21-16/h3-9,13H,10-12H2,1-2H3
InChIKeyKREIUVNXWGWJRY-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.88
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one

3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 46231948) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID46231948
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCC(C)N(CCC(=O)c1ccc(Cl)s1)Cc1ccccc1
InChIInChI=1S/C17H20ClNOS/c1-13(2)19(12-14-6-4-3-5-7-14)11-10-15(20)16-8-9-17(18)21-16/h3-9,13H,10-12H2,1-2H3
InChIKeyKREIUVNXWGWJRY-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Benzyl(tert-butyl)amino]-1-(5-bromothiophen-2-yl)propan-1-one
CID 46216814
3-[Benzyl(propan-2-yl)amino]-1-(5-bromothiophen-2-yl)propan-1-one
CID 46231877
3-[Benzyl(ethyl)amino]-1-(5-bromothiophen-2-yl)propan-1-one
CID 46231946
3-[Benzyl(tert-butyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231949
3-[Benzyl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231950
3-[Benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231951
3-[Benzyl(propan-2-yl)amino]-1-(2,5-dichlorothiophen-3-yl)propan-1-one
CID 46232092
3-[Benzyl(tert-butyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46232276
1-(5-{[3-(4-Chlorobenzoyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 24790127
1-Propanone, 3-[methyl(phenylmethyl)amino]-1-(2-thienyl)-
CID 11253954
3-[Benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231812
3-[Benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231952

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (CID 46231948) is 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is CC(C)N(CCC(=O)c1ccc(Cl)s1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is KREIUVNXWGWJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-13(2)19(12-14-6-4-3-5-7-14)11-10-15(20)16-8-9-17(18)21-16/h3-9,13H,10-12H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 321.87 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 46231948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).