methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate

C27H27N3O7S — CID 70097641

IUPACmethyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C27H27N3O7S/c1-29(21-12-10-19(11-13-21)26(32)30-14-16-37-17-15-30)38(34,35)22-7-5-6-20(18-22)25(31)28-24-9-4-3-8-23(24)27(33)36-2/h3-13,18H,14-17H2,1-2H3,(H,28,31)
InChIKeyFDPZKTHVNLUHPM-UHFFFAOYSA-N
MW537.59 g/mol
LogP3.02
Rot. Bonds7

About methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate

methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate (PubChem CID 70097641) has the molecular formula C27H27N3O7S and a molecular weight of 537.59 g/mol. Its IUPAC name is methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate
PubChem CID70097641
Molecular FormulaC27H27N3O7S
Molecular Weight537.59 g/mol
Exact Mass537.16
IUPAC Namemethyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C27H27N3O7S/c1-29(21-12-10-19(11-13-21)26(32)30-14-16-37-17-15-30)38(34,35)22-7-5-6-20(18-22)25(31)28-24-9-4-3-8-23(24)27(33)36-2/h3-13,18H,14-17H2,1-2H3,(H,28,31)
InChIKeyFDPZKTHVNLUHPM-UHFFFAOYSA-N
XLogP3.02
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.59
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[3-[[2-methyl-4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate
CID 70097638
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026
3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 1289307
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate
CID 30269435
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2988947
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate (CID 70097641) is methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate?
The InChIKey is FDPZKTHVNLUHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O7S/c1-29(21-12-10-19(11-13-21)26(32)30-14-16-37-17-15-30)38(34,35)22-7-5-6-20(18-22)25(31)28-24-9-4-3-8-23(24)27(33)36-2/h3-13,18H,14-17H2,1-2H3,(H,28,31).
What are the key properties of methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate?
methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate has a molecular weight of 537.59 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 70097641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).