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

C16H18ClNO2S — CID 46231952

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNO2S/c17-16-7-6-15(21-16)14(20)8-9-18(10-11-19)12-13-4-2-1-3-5-13/h1-7,19H,8-12H2
InChIKeyHNDYVKBERKYRGX-UHFFFAOYSA-N
MW323.84 g/mol
LogP3.47
Rot. Bonds8

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

3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 46231952) has the molecular formula C16H18ClNO2S and a molecular weight of 323.84 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID46231952
Molecular FormulaC16H18ClNO2S
Molecular Weight323.84 g/mol
Exact Mass323.07
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNO2S/c17-16-7-6-15(21-16)14(20)8-9-18(10-11-19)12-13-4-2-1-3-5-13/h1-7,19H,8-12H2
InChIKeyHNDYVKBERKYRGX-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231948
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(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231871
3-[Bis(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46232019
3-[Benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-3-yl)propan-1-one
CID 46232093
3-[Benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one
CID 46232024
(5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167850
1-(5-Chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone
CID 118678743
4-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]-4-oxo-N-prop-2-enylbutanamide
CID 55976657

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one (CID 46231952) is 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is O=C(CCN(CCO)Cc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is HNDYVKBERKYRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c17-16-7-6-15(21-16)14(20)8-9-18(10-11-19)12-13-4-2-1-3-5-13/h1-7,19H,8-12H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one?
3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 323.84 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 46231952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).