N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide

C17H20N2O4S — CID 126836477

IUPACN-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide
SMILESCS(=O)(=O)CCOc1ccc(NC(=O)CCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)13-12-23-16-5-3-15(4-6-16)19-17(20)7-2-14-8-10-18-11-9-14/h3-6,8-11H,2,7,12-13H2,1H3,(H,19,20)
InChIKeyMPRAFNACCFNUIW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.08
Rot. Bonds8

About N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide

N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide (PubChem CID 126836477) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide
PubChem CID126836477
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide
SMILESCS(=O)(=O)CCOc1ccc(NC(=O)CCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)13-12-23-16-5-3-15(4-6-16)19-17(20)7-2-14-8-10-18-11-9-14/h3-6,8-11H,2,7,12-13H2,1H3,(H,19,20)
InChIKeyMPRAFNACCFNUIW-UHFFFAOYSA-N
XLogP2.08
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 17066904
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
[4-(3-pyridin-4-ylpropoxy)phenyl]urea
CID 143052287
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
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N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
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2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide (CID 126836477) is N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide is CS(=O)(=O)CCOc1ccc(NC(=O)CCc2ccncc2)cc1.
What is the InChIKey of N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide?
The InChIKey is MPRAFNACCFNUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-24(21,22)13-12-23-16-5-3-15(4-6-16)19-17(20)7-2-14-8-10-18-11-9-14/h3-6,8-11H,2,7,12-13H2,1H3,(H,19,20).
What are the key properties of N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide?
N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide has a molecular weight of 348.42 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 126836477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).