2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide

C22H25N3O5S — CID 55598302

IUPAC2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccccc2C#N)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H25N3O5S/c1-3-29-20-11-10-18(14-21(20)31(27,28)25-12-6-7-13-25)24-22(26)16(2)30-19-9-5-4-8-17(19)15-23/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,24,26)
InChIKeyYLMQRKSMWPIKFB-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide

2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55598302) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID55598302
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccccc2C#N)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H25N3O5S/c1-3-29-20-11-10-18(14-21(20)31(27,28)25-12-6-7-13-25)24-22(26)16(2)30-19-9-5-4-8-17(19)15-23/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,24,26)
InChIKeyYLMQRKSMWPIKFB-UHFFFAOYSA-N
XLogP3.15
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 25440580
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55874596
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 43024673
1-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 51945406
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
CID 24624539
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 55598302) is 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide is CCOc1ccc(NC(=O)C(C)Oc2ccccc2C#N)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YLMQRKSMWPIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-3-29-20-11-10-18(14-21(20)31(27,28)25-12-6-7-13-25)24-22(26)16(2)30-19-9-5-4-8-17(19)15-23/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 443.53 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55598302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).