N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C22H35N3O4S — CID 55550446

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCCC(CC)C(CNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H35N3O4S/c1-3-20(4-2)21(25-13-15-29-16-14-25)18-23-22(26)10-12-24-30(27,28)17-11-19-8-6-5-7-9-19/h5-9,11,17,20-21,24H,3-4,10,12-16,18H2,1-2H3,(H,23,26)/b17-11+
InChIKeyRUCCLLLDNYIKJN-GZTJUZNOSA-N
MW437.61 g/mol
LogP2.22
Rot. Bonds12

About N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 55550446) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID55550446
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCCC(CC)C(CNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H35N3O4S/c1-3-20(4-2)21(25-13-15-29-16-14-25)18-23-22(26)10-12-24-30(27,28)17-11-19-8-6-5-7-9-19/h5-9,11,17,20-21,24H,3-4,10,12-16,18H2,1-2H3,(H,23,26)/b17-11+
InChIKeyRUCCLLLDNYIKJN-GZTJUZNOSA-N
XLogP2.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
CID 42954539
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(methylamino)butanamide;dihydrochloride
CID 119841667
6-acetamido-N-(3-ethyl-2-morpholin-4-ylpentyl)hexanamide
CID 55634041
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(9-oxoacridin-10-yl)acetamide
CID 46410424
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 55550061
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 35418237
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
CID 134053099
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43049020
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 55550446) is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CCC(CC)C(CNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is RUCCLLLDNYIKJN-GZTJUZNOSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-3-20(4-2)21(25-13-15-29-16-14-25)18-23-22(26)10-12-24-30(27,28)17-11-19-8-6-5-7-9-19/h5-9,11,17,20-21,24H,3-4,10,12-16,18H2,1-2H3,(H,23,26)/b17-11+.
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 437.61 g/mol, XLogP of 2.22, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55550446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).