N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C24H33N3O5S — CID 39650274

IUPACN-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C24H33N3O5S/c1-17(27-15-18(2)32-19(3)16-27)14-25-24(28)20-10-12-21(13-11-20)33(29,30)26(4)22-8-6-7-9-23(22)31-5/h6-13,17-19H,14-16H2,1-5H3,(H,25,28)/t17-,18-,19+/m1/s1
InChIKeyJTYGQIOHBQAYGB-QRVBRYPASA-N
MW475.61 g/mol
LogP2.75
Rot. Bonds8

About N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 39650274) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID39650274
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC NameN-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C24H33N3O5S/c1-17(27-15-18(2)32-19(3)16-27)14-25-24(28)20-10-12-21(13-11-20)33(29,30)26(4)22-8-6-7-9-23(22)31-5/h6-13,17-19H,14-16H2,1-5H3,(H,25,28)/t17-,18-,19+/m1/s1
InChIKeyJTYGQIOHBQAYGB-QRVBRYPASA-N
XLogP2.75
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 41105030
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 41105028
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide
CID 46439567
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46513510
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27298108

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 39650274) is N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is JTYGQIOHBQAYGB-QRVBRYPASA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-17(27-15-18(2)32-19(3)16-27)14-25-24(28)20-10-12-21(13-11-20)33(29,30)26(4)22-8-6-7-9-23(22)31-5/h6-13,17-19H,14-16H2,1-5H3,(H,25,28)/t17-,18-,19+/m1/s1.
What are the key properties of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 475.61 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 39650274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).