3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide

C49H51BrN6O9S — CID 160804146

IUPAC3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3c(c2)Cc2c(C(N)=O)cc(Br)cc2-3)C[C@H](C)O1.Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2S(=O)(=O)C1CC1
InChIInChI=1S/C28H30N4O6S.C21H21BrN2O3/c1-14-12-31(13-15(2)37-14)28(34)18-5-8-21-22-9-19(25-16(3)30-38-17(25)4)10-23(27(29)33)26(22)32(24(21)11-18)39(35,36)20-6-7-20;1-11-9-24(10-12(2)27-11)21(26)13-3-4-16-14(5-13)6-17-18(16)7-15(22)8-19(17)20(23)25/h5,8-11,14-15,20H,6-7,12-13H2,1-4H3,(H2,29,33);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,23,25)/t14-,15+;11-,12+
InChIKeySDLVIEVAUCTWBZ-CRVOAERTSA-N
MW979.95 g/mol
LogP7.12
Rot. Bonds7

About 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide

3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide (PubChem CID 160804146) has the molecular formula C49H51BrN6O9S and a molecular weight of 979.95 g/mol. Its IUPAC name is 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide.

Molecular Properties

Compound Name3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
PubChem CID160804146
Molecular FormulaC49H51BrN6O9S
Molecular Weight979.95 g/mol
Exact Mass978.26
IUPAC Name3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3c(c2)Cc2c(C(N)=O)cc(Br)cc2-3)C[C@H](C)O1.Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2S(=O)(=O)C1CC1
InChIInChI=1S/C28H30N4O6S.C21H21BrN2O3/c1-14-12-31(13-15(2)37-14)28(34)18-5-8-21-22-9-19(25-16(3)30-38-17(25)4)10-23(27(29)33)26(22)32(24(21)11-18)39(35,36)20-6-7-20;1-11-9-24(10-12(2)27-11)21(26)13-3-4-16-14(5-13)6-17-18(16)7-15(22)8-19(17)20(23)25/h5,8-11,14-15,20H,6-7,12-13H2,1-4H3,(H2,29,33);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,23,25)/t14-,15+;11-,12+
InChIKeySDLVIEVAUCTWBZ-CRVOAERTSA-N
XLogP7.12
TPSA210.36 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.95
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide
CID 118644502
9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide
CID 90375378
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid;9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(morpholine-4-carbonyl)carbazole-1-carboxamide
CID 158756117
7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
CID 90376698
9-(cyclopropylmethyl)-7-[(2S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
CID 144692930
3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide
CID 90376272
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90376112
5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid
CID 153254090
9-[(2-cyanophenyl)methyl]-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
CID 78427747
6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylic acid;tert-butyl 2-[8-carbamoyl-9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]acetate
CID 159642357
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(9H-fluoren-2-yl)methanone
CID 39878233

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The IUPAC name of 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide (CID 160804146) is 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide.
What is the SMILES notation for 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The canonical SMILES for 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide is C[C@@H]1CN(C(=O)c2ccc3c(c2)Cc2c(C(N)=O)cc(Br)cc2-3)C[C@H](C)O1.Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1n2S(=O)(=O)C1CC1.
What is the InChIKey of 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
The InChIKey is SDLVIEVAUCTWBZ-CRVOAERTSA-N. The full InChI is InChI=1S/C28H30N4O6S.C21H21BrN2O3/c1-14-12-31(13-15(2)37-14)28(34)18-5-8-21-22-9-19(25-16(3)30-38-17(25)4)10-23(27(29)33)26(22)32(24(21)11-18)39(35,36)20-6-7-20;1-11-9-24(10-12(2)27-11)21(26)13-3-4-16-14(5-13)6-17-18(16)7-15(22)8-19(17)20(23)25/h5,8-11,14-15,20H,6-7,12-13H2,1-4H3,(H2,29,33);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,23,25)/t14-,15+;11-,12+.
What are the key properties of 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide?
3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide has a molecular weight of 979.95 g/mol, XLogP of 7.12, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide is sourced from PubChem (CID 160804146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).