N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C25H29N3O4S — CID 55977009

IUPACN-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O4S/c29-25(27-23-8-5-20(6-9-23)12-14-28-15-17-32-18-16-28)11-13-26-33(30,31)24-10-7-21-3-1-2-4-22(21)19-24/h1-10,19,26H,11-18H2,(H,27,29)
InChIKeyGYLZERIJFSDZSD-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.02
Rot. Bonds9

About N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 55977009) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID55977009
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O4S/c29-25(27-23-8-5-20(6-9-23)12-14-28-15-17-32-18-16-28)11-13-26-33(30,31)24-10-7-21-3-1-2-4-22(21)19-24/h1-10,19,26H,11-18H2,(H,27,29)
InChIKeyGYLZERIJFSDZSD-UHFFFAOYSA-N
XLogP3.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55976370
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 32940101
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905661

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 55977009) is N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is GYLZERIJFSDZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c29-25(27-23-8-5-20(6-9-23)12-14-28-15-17-32-18-16-28)11-13-26-33(30,31)24-10-7-21-3-1-2-4-22(21)19-24/h1-10,19,26H,11-18H2,(H,27,29).
What are the key properties of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 467.59 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55977009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).