2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide

C26H33N5O5S — CID 42909152

IUPAC2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C(C)Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C26H33N5O5S/c1-3-29-10-12-30(13-11-29)25-9-8-23(37(33,34)31-14-16-35-17-15-31)18-24(25)28-26(32)20(2)36-22-6-4-21(19-27)5-7-22/h4-9,18,20H,3,10-17H2,1-2H3,(H,28,32)
InChIKeySFEMLKRZZWAMFU-UHFFFAOYSA-N
MW527.65 g/mol
LogP2.13
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide

2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide (PubChem CID 42909152) has the molecular formula C26H33N5O5S and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide
PubChem CID42909152
Molecular FormulaC26H33N5O5S
Molecular Weight527.65 g/mol
Exact Mass527.22
IUPAC Name2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C(C)Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C26H33N5O5S/c1-3-29-10-12-30(13-11-29)25-9-8-23(37(33,34)31-14-16-35-17-15-31)18-24(25)28-26(32)20(2)36-22-6-4-21(19-27)5-7-22/h4-9,18,20H,3,10-17H2,1-2H3,(H,28,32)
InChIKeySFEMLKRZZWAMFU-UHFFFAOYSA-N
XLogP2.13
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.65
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 16546080
2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 16552159
(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612928
2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 43077352
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
4-(difluoromethoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 24980976
(2S)-2-(4-cyanophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414961
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
2-(2-cyanophenoxy)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 55597453
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide (CID 42909152) is 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C(C)Oc2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide?
The InChIKey is SFEMLKRZZWAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S/c1-3-29-10-12-30(13-11-29)25-9-8-23(37(33,34)31-14-16-35-17-15-31)18-24(25)28-26(32)20(2)36-22-6-4-21(19-27)5-7-22/h4-9,18,20H,3,10-17H2,1-2H3,(H,28,32).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide?
2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide has a molecular weight of 527.65 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide is sourced from PubChem (CID 42909152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).