3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide

C17H21N3O3S — CID 2228455

IUPAC3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-20-24(22,23)16-9-6-14(7-10-16)8-11-17(21)19-13-15-5-3-4-12-18-15/h3-7,9-10,12,20H,2,8,11,13H2,1H3,(H,19,21)
InChIKeyDJNRCKDNOWJBLA-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.63
Rot. Bonds8

About 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide

3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 2228455) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID2228455
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-20-24(22,23)16-9-6-14(7-10-16)8-11-17(21)19-13-15-5-3-4-12-18-15/h3-7,9-10,12,20H,2,8,11,13H2,1H3,(H,19,21)
InChIKeyDJNRCKDNOWJBLA-UHFFFAOYSA-N
XLogP1.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-31
CID 984333
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CID 9883549
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CID 711634
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
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Sulfonamidopyrrolidinone 3d
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide (CID 2228455) is 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is DJNRCKDNOWJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-20-24(22,23)16-9-6-14(7-10-16)8-11-17(21)19-13-15-5-3-4-12-18-15/h3-7,9-10,12,20H,2,8,11,13H2,1H3,(H,19,21).
What are the key properties of 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 2228455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).