2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide

C31H35N3O6S — CID 133213708

IUPAC2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C31H35N3O6S/c1-2-17-32-31(36)29(22-25-9-5-3-6-10-25)34(23-26-11-7-4-8-12-26)30(35)24-40-27-13-15-28(16-14-27)41(37,38)33-18-20-39-21-19-33/h2-16,29H,1,17-24H2,(H,32,36)
InChIKeyMBYLSHATSOBUJG-UHFFFAOYSA-N
MW577.70 g/mol
LogP3.03
Rot. Bonds13

About 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide

2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 133213708) has the molecular formula C31H35N3O6S and a molecular weight of 577.70 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
PubChem CID133213708
Molecular FormulaC31H35N3O6S
Molecular Weight577.70 g/mol
Exact Mass577.22
IUPAC Name2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C31H35N3O6S/c1-2-17-32-31(36)29(22-25-9-5-3-6-10-25)34(23-26-11-7-4-8-12-26)30(35)24-40-27-13-15-28(16-14-27)41(37,38)33-18-20-39-21-19-33/h2-16,29H,1,17-24H2,(H,32,36)
InChIKeyMBYLSHATSOBUJG-UHFFFAOYSA-N
XLogP3.03
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide 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

2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133236222
N-butyl-2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133214218
2-[(4-fluorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 133214751
2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 133214238
2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 133214240
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133236217
2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133148569
2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-butylpropanamide
CID 133148621
2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 133148603
2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 133237271
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
CID 133213876
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenylacetamide
CID 133238369

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide (CID 133213708) is 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is MBYLSHATSOBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O6S/c1-2-17-32-31(36)29(22-25-9-5-3-6-10-25)34(23-26-11-7-4-8-12-26)30(35)24-40-27-13-15-28(16-14-27)41(37,38)33-18-20-39-21-19-33/h2-16,29H,1,17-24H2,(H,32,36).
What are the key properties of 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 577.70 g/mol, XLogP of 3.03, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 133213708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).