N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C23H29N3O7S — CID 55867417

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OCC(N)=O
InChIInChI=1S/C23H29N3O7S/c1-31-21-14-18(4-8-20(21)33-16-22(24)27)15-25-23(28)9-5-17-2-6-19(7-3-17)34(29,30)26-10-12-32-13-11-26/h2-4,6-8,14H,5,9-13,15-16H2,1H3,(H2,24,27)(H,25,28)
InChIKeyCWCXLNCYBPMSPR-UHFFFAOYSA-N
MW491.57 g/mol
LogP0.83
Rot. Bonds11

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55867417) has the molecular formula C23H29N3O7S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55867417
Molecular FormulaC23H29N3O7S
Molecular Weight491.57 g/mol
Exact Mass491.17
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OCC(N)=O
InChIInChI=1S/C23H29N3O7S/c1-31-21-14-18(4-8-20(21)33-16-22(24)27)15-25-23(28)9-5-17-2-6-19(7-3-17)34(29,30)26-10-12-32-13-11-26/h2-4,6-8,14H,5,9-13,15-16H2,1H3,(H2,24,27)(H,25,28)
InChIKeyCWCXLNCYBPMSPR-UHFFFAOYSA-N
XLogP0.83
TPSA137.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-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

N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
CID 55806613
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30273865
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42995329
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554635
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896765
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 55893839
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 55712353

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55867417) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is COc1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is CWCXLNCYBPMSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S/c1-31-21-14-18(4-8-20(21)33-16-22(24)27)15-25-23(28)9-5-17-2-6-19(7-3-17)34(29,30)26-10-12-32-13-11-26/h2-4,6-8,14H,5,9-13,15-16H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 491.57 g/mol, XLogP of 0.83, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55867417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).