4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide

C33H40N4O8S2 — CID 99678549

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C33H40N4O8S2/c1-21-6-11-28(34-32(38)26-7-12-29(13-8-26)46(40,41)36-17-22(2)44-23(3)18-36)16-31(21)35-33(39)27-9-14-30(15-10-27)47(42,43)37-19-24(4)45-25(5)20-37/h6-16,22-25H,17-20H2,1-5H3,(H,34,38)(H,35,39)/t22-,23+,24-,25-/m1/s1
InChIKeyHEKJWRHCIMSCRP-ZFFYZDHPSA-N
MW684.84 g/mol
LogP4.10
Rot. Bonds8

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide (PubChem CID 99678549) has the molecular formula C33H40N4O8S2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
PubChem CID99678549
Molecular FormulaC33H40N4O8S2
Molecular Weight684.84 g/mol
Exact Mass684.23
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C33H40N4O8S2/c1-21-6-11-28(34-32(38)26-7-12-29(13-8-26)46(40,41)36-17-22(2)44-23(3)18-36)16-31(21)35-33(39)27-9-14-30(15-10-27)47(42,43)37-19-24(4)45-25(5)20-37/h6-16,22-25H,17-20H2,1-5H3,(H,34,38)(H,35,39)/t22-,23+,24-,25-/m1/s1
InChIKeyHEKJWRHCIMSCRP-ZFFYZDHPSA-N
XLogP4.10
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500684.84
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide with MolForge

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Related Compounds

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 4295419
N-(2-chloro-4-methylphenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926672
N-(2-chloro-4-methylphenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926671
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 7900282
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 4182161
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of 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) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide?
The InChIKey is HEKJWRHCIMSCRP-ZFFYZDHPSA-N. The full InChI is InChI=1S/C33H40N4O8S2/c1-21-6-11-28(34-32(38)26-7-12-29(13-8-26)46(40,41)36-17-22(2)44-23(3)18-36)16-31(21)35-33(39)27-9-14-30(15-10-27)47(42,43)37-19-24(4)45-25(5)20-37/h6-16,22-25H,17-20H2,1-5H3,(H,34,38)(H,35,39)/t22-,23+,24-,25-/m1/s1.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide has a molecular weight of 684.84 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 99678549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).