N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide

C12H17NO4S — CID 146127845

IUPACN-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C12H17NO4S/c1-3-12(14)13-18(15,16)9-8-10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyHUWUTEUEAOPPSO-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.09
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide

N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide (PubChem CID 146127845) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide
PubChem CID146127845
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C12H17NO4S/c1-3-12(14)13-18(15,16)9-8-10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyHUWUTEUEAOPPSO-UHFFFAOYSA-N
XLogP1.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)sulfonyl-2-(4-methoxyphenyl)acetamide
CID 166210769
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide
CID 110627872
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(4-methoxyphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide
CID 16943886
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide (CID 146127845) is N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide is CCC(=O)NS(=O)(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide?
The InChIKey is HUWUTEUEAOPPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-12(14)13-18(15,16)9-8-10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide?
N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide is sourced from PubChem (CID 146127845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).