4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide

C17H20N2O4S — CID 66577943

IUPAC4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESCS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)16(6-7-17(18)20)14-2-4-15(5-3-14)23-12-13-8-10-19-11-9-13/h2-5,8-11,16H,6-7,12H2,1H3,(H2,18,20)
InChIKeyIVZVCXPTICUBMB-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.01
Rot. Bonds8

About 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide

4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide (PubChem CID 66577943) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
PubChem CID66577943
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESCS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)16(6-7-17(18)20)14-2-4-15(5-3-14)23-12-13-8-10-19-11-9-13/h2-5,8-11,16H,6-7,12H2,1H3,(H2,18,20)
InChIKeyIVZVCXPTICUBMB-UHFFFAOYSA-N
XLogP2.01
TPSA99.35 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579770
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
CID 174299048
3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 67730824
2-(4-phenylmethoxyphenyl)pentanediamide
CID 20546418
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]butanamide
CID 66578110
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid
CID 119911946
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943
(2S,4S)-4-methoxy-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979752

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide (CID 66577943) is 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide is CS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The InChIKey is IVZVCXPTICUBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-24(21,22)16(6-7-17(18)20)14-2-4-15(5-3-14)23-12-13-8-10-19-11-9-13/h2-5,8-11,16H,6-7,12H2,1H3,(H2,18,20).
What are the key properties of 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide has a molecular weight of 348.42 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 66577943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).