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

C25H33N3O5S — CID 55905013

IUPACN-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C25H33N3O5S/c29-25(26-23-6-1-22(2-7-23)11-12-27-13-17-32-18-14-27)10-5-21-3-8-24(9-4-21)34(30,31)28-15-19-33-20-16-28/h1-4,6-9H,5,10-20H2,(H,26,29)
InChIKeyOOVPKXKUYAJBRQ-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.15
Rot. Bonds9

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

N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55905013) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55905013
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C25H33N3O5S/c29-25(26-23-6-1-22(2-7-23)11-12-27-13-17-32-18-14-27)10-5-21-3-8-24(9-4-21)34(30,31)28-15-19-33-20-16-28/h1-4,6-9H,5,10-20H2,(H,26,29)
InChIKeyOOVPKXKUYAJBRQ-UHFFFAOYSA-N
XLogP2.15
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119516414
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55976370
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55905013) is N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is OOVPKXKUYAJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c29-25(26-23-6-1-22(2-7-23)11-12-27-13-17-32-18-14-27)10-5-21-3-8-24(9-4-21)34(30,31)28-15-19-33-20-16-28/h1-4,6-9H,5,10-20H2,(H,26,29).
What are the key properties of N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 487.62 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55905013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).