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

C27H33N3O4S — CID 55902128

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C27H33N3O4S/c1-4-30(5-2)35(32,33)26-15-12-22(13-16-26)14-17-27(31)29-21(3)23-9-8-11-25(19-23)34-20-24-10-6-7-18-28-24/h6-13,15-16,18-19,21H,4-5,14,17,20H2,1-3H3,(H,29,31)
InChIKeyGMNQPEPKKQSWIH-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.50
Rot. Bonds12

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

3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide (PubChem CID 55902128) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
PubChem CID55902128
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C27H33N3O4S/c1-4-30(5-2)35(32,33)26-15-12-22(13-16-26)14-17-27(31)29-21(3)23-9-8-11-25(19-23)34-20-24-10-6-7-18-28-24/h6-13,15-16,18-19,21H,4-5,14,17,20H2,1-3H3,(H,29,31)
InChIKeyGMNQPEPKKQSWIH-UHFFFAOYSA-N
XLogP4.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55901736
4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 55901621
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
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
3-(1,3-benzothiazol-2-yl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902120
N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
CID 47065984
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide (CID 55902128) is 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)c2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The InChIKey is GMNQPEPKKQSWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-4-30(5-2)35(32,33)26-15-12-22(13-16-26)14-17-27(31)29-21(3)23-9-8-11-25(19-23)34-20-24-10-6-7-18-28-24/h6-13,15-16,18-19,21H,4-5,14,17,20H2,1-3H3,(H,29,31).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide has a molecular weight of 495.65 g/mol, XLogP of 4.50, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 55902128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).