methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate

C23H28N2O7S — CID 100692700

IUPACmethyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1C
InChIInChI=1S/C23H28N2O7S/c1-16-19(23(27)31-3)5-4-6-20(16)24-22(26)10-7-17-15-18(8-9-21(17)30-2)33(28,29)25-11-13-32-14-12-25/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,24,26)
InChIKeyXNGFWJWFFQPPNR-UHFFFAOYSA-N
MW476.55 g/mol
LogP2.38
Rot. Bonds8

About methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate

methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate (PubChem CID 100692700) has the molecular formula C23H28N2O7S and a molecular weight of 476.55 g/mol. Its IUPAC name is methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
PubChem CID100692700
Molecular FormulaC23H28N2O7S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC Namemethyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1C
InChIInChI=1S/C23H28N2O7S/c1-16-19(23(27)31-3)5-4-6-20(16)24-22(26)10-7-17-15-18(8-9-21(17)30-2)33(28,29)25-11-13-32-14-12-25/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,24,26)
InChIKeyXNGFWJWFFQPPNR-UHFFFAOYSA-N
XLogP2.38
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate with MolForge

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Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 100767673
N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 100774905
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
methyl 2-hydroxy-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzoate
CID 56543449
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165831
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133200026

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate?
The IUPAC name of methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate (CID 100692700) is methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1C.
What is the InChIKey of methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate?
The InChIKey is XNGFWJWFFQPPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7S/c1-16-19(23(27)31-3)5-4-6-20(16)24-22(26)10-7-17-15-18(8-9-21(17)30-2)33(28,29)25-11-13-32-14-12-25/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,24,26).
What are the key properties of methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate?
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate has a molecular weight of 476.55 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate is sourced from PubChem (CID 100692700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).