4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide

C21H22N2O4S — CID 66579770

IUPAC4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
SMILESCS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O4S/c1-28(25,26)20(12-13-21(22)24)16-7-10-18(11-8-16)27-14-17-9-6-15-4-2-3-5-19(15)23-17/h2-11,20H,12-14H2,1H3,(H2,22,24)
InChIKeyGEYWOMBLNVRDTG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.16
Rot. Bonds8

About 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide

4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide (PubChem CID 66579770) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
PubChem CID66579770
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
SMILESCS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O4S/c1-28(25,26)20(12-13-21(22)24)16-7-10-18(11-8-16)27-14-17-9-6-15-4-2-3-5-19(15)23-17/h2-11,20H,12-14H2,1H3,(H2,22,24)
InChIKeyGEYWOMBLNVRDTG-UHFFFAOYSA-N
XLogP3.16
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
CID 10786723
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
CID 162335511
CID 162335511
2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
CID 67704199
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
3-[4-(4-methylsulfanylphenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
CID 19745854

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide (CID 66579770) is 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide is CS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
The InChIKey is GEYWOMBLNVRDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-28(25,26)20(12-13-21(22)24)16-7-10-18(11-8-16)27-14-17-9-6-15-4-2-3-5-19(15)23-17/h2-11,20H,12-14H2,1H3,(H2,22,24).
What are the key properties of 4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
4-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide has a molecular weight of 398.48 g/mol, XLogP of 3.16, 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-(quinolin-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 66579770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).