1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone

C16H19NO3S — CID 62036910

IUPAC1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1ccc(O)cc1O)Cc1cccs1
InChIInChI=1S/C16H19NO3S/c1-11(2)17(9-13-4-3-7-21-13)10-16(20)14-6-5-12(18)8-15(14)19/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyCXENANBDRQJZFT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.25
Rot. Bonds6

About 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone

1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone (PubChem CID 62036910) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone
PubChem CID62036910
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1ccc(O)cc1O)Cc1cccs1
InChIInChI=1S/C16H19NO3S/c1-11(2)17(9-13-4-3-7-21-13)10-16(20)14-6-5-12(18)8-15(14)19/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyCXENANBDRQJZFT-UHFFFAOYSA-N
XLogP3.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
2-fluoro-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106699173
4-bromo-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 47435985
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone (CID 62036910) is 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone is CC(C)N(CC(=O)c1ccc(O)cc1O)Cc1cccs1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone?
The InChIKey is CXENANBDRQJZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11(2)17(9-13-4-3-7-21-13)10-16(20)14-6-5-12(18)8-15(14)19/h3-8,11,18-19H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone?
1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone has a molecular weight of 305.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 62036910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).