N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

C24H33N3O4S — CID 20628836

IUPACN-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCc1cc(N2CC(C)OC(C)C2C)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C24H33N3O4S/c1-15(2)32(29,30)26-21-9-7-20(8-10-21)24(28)25-23-12-11-22(13-16(23)3)27-14-17(4)31-19(6)18(27)5/h7-13,15,17-19,26H,14H2,1-6H3,(H,25,28)
InChIKeyLIJBIVNKSFGPJZ-UHFFFAOYSA-N
MW459.61 g/mol
LogP4.40
Rot. Bonds6

About N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 20628836) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID20628836
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCc1cc(N2CC(C)OC(C)C2C)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C24H33N3O4S/c1-15(2)32(29,30)26-21-9-7-20(8-10-21)24(28)25-23-12-11-22(13-16(23)3)27-14-17(4)31-19(6)18(27)5/h7-13,15,17-19,26H,14H2,1-6H3,(H,25,28)
InChIKeyLIJBIVNKSFGPJZ-UHFFFAOYSA-N
XLogP4.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630011
N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630073
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
CID 99678549
N-(4,7-dimethyl-1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 158677135
N-[4-(2,5-dihydropyrrol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(7-methyl-1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-methyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)benzamide;2-methyl-N-propan-2-yl-3-[[4-(propan-2-ylsulfonylamino)benzoyl]amino]benzamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 160954370
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
N-(4,7-dimethyl-1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 158483740
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
CID 160604379
N-(2-chloro-4-methylphenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926672

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (CID 20628836) is N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is Cc1cc(N2CC(C)OC(C)C2C)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is LIJBIVNKSFGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-15(2)32(29,30)26-21-9-7-20(8-10-21)24(28)25-23-12-11-22(13-16(23)3)27-14-17(4)31-19(6)18(27)5/h7-13,15,17-19,26H,14H2,1-6H3,(H,25,28).
What are the key properties of N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 459.61 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 20628836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).