propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C22H26N2O7S — CID 4849600

IUPACpropyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N2O7S/c1-3-12-31-22(26)16-4-7-18(8-5-16)23-21(25)17-6-9-19(29-2)20(15-17)32(27,28)24-10-13-30-14-11-24/h4-9,15H,3,10-14H2,1-2H3,(H,23,25)
InChIKeyCXPVCUUQRFLSQZ-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.54
Rot. Bonds8

About propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 4849600) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID4849600
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Namepropyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N2O7S/c1-3-12-31-22(26)16-4-7-18(8-5-16)23-21(25)17-6-9-19(29-2)20(15-17)32(27,28)24-10-13-30-14-11-24/h4-9,15H,3,10-14H2,1-2H3,(H,23,25)
InChIKeyCXPVCUUQRFLSQZ-UHFFFAOYSA-N
XLogP2.54
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate with MolForge

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Related Compounds

propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4153056
N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55781546
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 4849600) is propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is CXPVCUUQRFLSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-3-12-31-22(26)16-4-7-18(8-5-16)23-21(25)17-6-9-19(29-2)20(15-17)32(27,28)24-10-13-30-14-11-24/h4-9,15H,3,10-14H2,1-2H3,(H,23,25).
What are the key properties of propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 462.52 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 4849600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).