2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone

C13H19NO3S — CID 98033362

IUPAC2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCCNCC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-4-14-9-13(15)11-5-7-12(8-6-11)18(16,17)10(2)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyLZHHJVRSJMPPKY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.66
Rot. Bonds6

About 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone

2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone (PubChem CID 98033362) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone
PubChem CID98033362
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCCNCC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-4-14-9-13(15)11-5-7-12(8-6-11)18(16,17)10(2)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyLZHHJVRSJMPPKY-UHFFFAOYSA-N
XLogP1.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(4-propan-2-ylsulfonylphenyl)ethanone
CID 70700384
4-oxo-4-(4-propan-2-ylsulfonylphenyl)butanenitrile
CID 116862111
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
1-(4-ethylsulfonylphenyl)-2-(propan-2-ylamino)ethanone
CID 98033361
3-(4-propanoylphenyl)sulfonylbutan-2-one
CID 82164567
1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
CID 89343699
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 115172909
[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol
CID 115229349
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone (CID 98033362) is 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone is CCNCC(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone?
The InChIKey is LZHHJVRSJMPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-14-9-13(15)11-5-7-12(8-6-11)18(16,17)10(2)3/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone?
2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone has a molecular weight of 269.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 98033362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).