3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide

C23H30N2O7S — CID 55806613

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O7S/c1-29-18-14-21(30-2)20(22(15-18)31-3)16-24-23(26)9-6-17-4-7-19(8-5-17)33(27,28)25-10-12-32-13-11-25/h4-5,7-8,14-15H,6,9-13,16H2,1-3H3,(H,24,26)
InChIKeyKAZSDMFOBPLSOD-UHFFFAOYSA-N
MW478.57 g/mol
LogP1.98
Rot. Bonds10

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide (PubChem CID 55806613) has the molecular formula C23H30N2O7S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
PubChem CID55806613
Molecular FormulaC23H30N2O7S
Molecular Weight478.57 g/mol
Exact Mass478.18
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O7S/c1-29-18-14-21(30-2)20(22(15-18)31-3)16-24-23(26)9-6-17-4-7-19(8-5-17)33(27,28)25-10-12-32-13-11-25/h4-5,7-8,14-15H,6,9-13,16H2,1-3H3,(H,24,26)
InChIKeyKAZSDMFOBPLSOD-UHFFFAOYSA-N
XLogP1.98
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55867417
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 55893839
5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
CID 55914473
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42995329
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide (CID 55806613) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide is COc1cc(OC)c(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
The InChIKey is KAZSDMFOBPLSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7S/c1-29-18-14-21(30-2)20(22(15-18)31-3)16-24-23(26)9-6-17-4-7-19(8-5-17)33(27,28)25-10-12-32-13-11-25/h4-5,7-8,14-15H,6,9-13,16H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide has a molecular weight of 478.57 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55806613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).