N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C23H30N2O5S — CID 55921189

IUPACN-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-29-21-9-4-19(5-10-21)3-2-14-24-23(26)13-8-20-6-11-22(12-7-20)31(27,28)25-15-17-30-18-16-25/h4-7,9-12H,2-3,8,13-18H2,1H3,(H,24,26)
InChIKeyVPNMAXDMYBMULV-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.40
Rot. Bonds10

About N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55921189) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55921189
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-29-21-9-4-19(5-10-21)3-2-14-24-23(26)13-8-20-6-11-22(12-7-20)31(27,28)25-15-17-30-18-16-25/h4-7,9-12H,2-3,8,13-18H2,1H3,(H,24,26)
InChIKeyVPNMAXDMYBMULV-UHFFFAOYSA-N
XLogP2.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55656769
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
CID 55806613
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
CID 55914473
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55720364
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55921189) is N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is VPNMAXDMYBMULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-29-21-9-4-19(5-10-21)3-2-14-24-23(26)13-8-20-6-11-22(12-7-20)31(27,28)25-15-17-30-18-16-25/h4-7,9-12H,2-3,8,13-18H2,1H3,(H,24,26).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 446.57 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55921189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).