2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

C17H21N3O4S — CID 6493067

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-15-7-9-16(10-8-15)25(22,23)20-13(2)17(21)19-12-14-6-4-5-11-18-14/h4-11,13,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyXDCIPVMRMQEYRG-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.46
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 6493067) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID6493067
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-15-7-9-16(10-8-15)25(22,23)20-13(2)17(21)19-12-14-6-4-5-11-18-14/h4-11,13,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyXDCIPVMRMQEYRG-UHFFFAOYSA-N
XLogP1.46
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (CID 6493067) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is CCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is XDCIPVMRMQEYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-24-15-7-9-16(10-8-15)25(22,23)20-13(2)17(21)19-12-14-6-4-5-11-18-14/h4-11,13,20H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 6493067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).