methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate

C23H27N3O7S — CID 30269435

IUPACmethyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C23H27N3O7S/c1-16-19(23(29)32-2)5-4-6-20(16)24-21(27)15-26(34(3,30)31)18-9-7-17(8-10-18)22(28)25-11-13-33-14-12-25/h4-10H,11-15H2,1-3H3,(H,24,27)
InChIKeyFZNDBDUBRCJMDJ-UHFFFAOYSA-N
MW489.55 g/mol
LogP1.66
Rot. Bonds7

About methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate

methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate (PubChem CID 30269435) has the molecular formula C23H27N3O7S and a molecular weight of 489.55 g/mol. Its IUPAC name is methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate
PubChem CID30269435
Molecular FormulaC23H27N3O7S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Namemethyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C23H27N3O7S/c1-16-19(23(29)32-2)5-4-6-20(16)24-21(27)15-26(34(3,30)31)18-9-7-17(8-10-18)22(28)25-11-13-33-14-12-25/h4-10H,11-15H2,1-3H3,(H,24,27)
InChIKeyFZNDBDUBRCJMDJ-UHFFFAOYSA-N
XLogP1.66
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265158
N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30271008
N-(2-bromophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30261361
methyl 2-methyl-3-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate
CID 21372789
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-(4-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265040
N-(5-chloro-2-methoxyphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30264918
N-(2,5-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30262278
methyl 2-methyl-3-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126270185
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 30271328

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate (CID 30269435) is methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1C.
What is the InChIKey of methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate?
The InChIKey is FZNDBDUBRCJMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S/c1-16-19(23(29)32-2)5-4-6-20(16)24-21(27)15-26(34(3,30)31)18-9-7-17(8-10-18)22(28)25-11-13-33-14-12-25/h4-10H,11-15H2,1-3H3,(H,24,27).
What are the key properties of methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate?
methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate has a molecular weight of 489.55 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate is sourced from PubChem (CID 30269435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).