2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid

C18H26N2O6S — CID 119248737

IUPAC2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C18H26N2O6S/c1-4-20(5-2)27(24,25)15-7-6-13(3)16(11-15)18(23)19-8-9-26-14(12-19)10-17(21)22/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,21,22)
InChIKeyCABRNMJDPSYKGQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.34
Rot. Bonds7

About 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid

2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid (PubChem CID 119248737) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid
PubChem CID119248737
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C18H26N2O6S/c1-4-20(5-2)27(24,25)15-7-6-13(3)16(11-15)18(23)19-8-9-26-14(12-19)10-17(21)22/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,21,22)
InChIKeyCABRNMJDPSYKGQ-UHFFFAOYSA-N
XLogP1.34
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide
CID 9295040
1-[5-(diethylsulfamoyl)-2-methylbenzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119239
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide
CID 120655575
3-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-N,N-diethyl-4-methylbenzenesulfonamide
CID 131962993
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070690

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid (CID 119248737) is 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid?
The InChIKey is CABRNMJDPSYKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-4-20(5-2)27(24,25)15-7-6-13(3)16(11-15)18(23)19-8-9-26-14(12-19)10-17(21)22/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid?
2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid has a molecular weight of 398.48 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).