N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide

C13H19NO4S — CID 82181831

IUPACN-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)CCCO)cc1
InChIInChI=1S/C13H19NO4S/c1-2-11-4-6-12(7-5-11)14-13(16)10-19(17,18)9-3-8-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyWFVYEIXTNBYFJR-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.98
Rot. Bonds7

About N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide

N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide (PubChem CID 82181831) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
PubChem CID82181831
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)CCCO)cc1
InChIInChI=1S/C13H19NO4S/c1-2-11-4-6-12(7-5-11)14-13(16)10-19(17,18)9-3-8-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyWFVYEIXTNBYFJR-UHFFFAOYSA-N
XLogP0.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181859
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925892
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922
2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
CID 55687459
3-methyl-N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]butanamide
CID 55687715
2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
CID 39716958
N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109987
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide (CID 82181831) is N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide is CCc1ccc(NC(=O)CS(=O)(=O)CCCO)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
The InChIKey is WFVYEIXTNBYFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-11-4-6-12(7-5-11)14-13(16)10-19(17,18)9-3-8-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16).
What are the key properties of N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide has a molecular weight of 285.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide is sourced from PubChem (CID 82181831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).