3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide

C24H26N2O4S — CID 55901736

IUPAC3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-9-11-23(12-10-18)31(28,29)15-13-24(27)26-19(2)20-6-5-8-22(16-20)30-17-21-7-3-4-14-25-21/h3-12,14,16,19H,13,15,17H2,1-2H3,(H,26,27)
InChIKeyISDYWZMPWFWIHS-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.01
Rot. Bonds9

About 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide

3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide (PubChem CID 55901736) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
PubChem CID55901736
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-9-11-23(12-10-18)31(28,29)15-13-24(27)26-19(2)20-6-5-8-22(16-20)30-17-21-7-3-4-14-25-21/h3-12,14,16,19H,13,15,17H2,1-2H3,(H,26,27)
InChIKeyISDYWZMPWFWIHS-UHFFFAOYSA-N
XLogP4.01
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902128
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
CID 56545254
4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 55901621
N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
CID 47065984
3-(1,3-benzothiazol-2-yl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902120
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide (CID 55901736) is 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide is Cc1ccc(S(=O)(=O)CCC(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The InChIKey is ISDYWZMPWFWIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-9-11-23(12-10-18)31(28,29)15-13-24(27)26-19(2)20-6-5-8-22(16-20)30-17-21-7-3-4-14-25-21/h3-12,14,16,19H,13,15,17H2,1-2H3,(H,26,27).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide has a molecular weight of 438.55 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 55901736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).