9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide

C29H29F3N4O6S — CID 90375378

IUPAC9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1c(C(=O)N3CC(C)OC(C)C3)cc(C(F)(F)F)cc1n2S(=O)(=O)C1CC1
InChIInChI=1S/C29H29F3N4O6S/c1-13-11-35(12-14(2)41-13)28(38)21-9-18(29(30,31)32)10-23-25(21)20-7-17(24-15(3)34-42-16(24)4)8-22(27(33)37)26(20)36(23)43(39,40)19-5-6-19/h7-10,13-14,19H,5-6,11-12H2,1-4H3,(H2,33,37)
InChIKeySGAZCGBWEAGGSE-UHFFFAOYSA-N
MW618.63 g/mol
LogP4.77
Rot. Bonds5

About 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide

9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide (PubChem CID 90375378) has the molecular formula C29H29F3N4O6S and a molecular weight of 618.63 g/mol. Its IUPAC name is 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide.

Molecular Properties

Compound Name9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide
PubChem CID90375378
Molecular FormulaC29H29F3N4O6S
Molecular Weight618.63 g/mol
Exact Mass618.18
IUPAC Name9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1c(C(=O)N3CC(C)OC(C)C3)cc(C(F)(F)F)cc1n2S(=O)(=O)C1CC1
InChIInChI=1S/C29H29F3N4O6S/c1-13-11-35(12-14(2)41-13)28(38)21-9-18(29(30,31)32)10-23-25(21)20-7-17(24-15(3)34-42-16(24)4)8-22(27(33)37)26(20)36(23)43(39,40)19-5-6-19/h7-10,13-14,19H,5-6,11-12H2,1-4H3,(H2,33,37)
InChIKeySGAZCGBWEAGGSE-UHFFFAOYSA-N
XLogP4.77
TPSA137.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide?
The IUPAC name of 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide (CID 90375378) is 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide.
What is the SMILES notation for 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide?
The canonical SMILES for 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1c(C(=O)N3CC(C)OC(C)C3)cc(C(F)(F)F)cc1n2S(=O)(=O)C1CC1.
What is the InChIKey of 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide?
The InChIKey is SGAZCGBWEAGGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O6S/c1-13-11-35(12-14(2)41-13)28(38)21-9-18(29(30,31)32)10-23-25(21)20-7-17(24-15(3)34-42-16(24)4)8-22(27(33)37)26(20)36(23)43(39,40)19-5-6-19/h7-10,13-14,19H,5-6,11-12H2,1-4H3,(H2,33,37).
What are the key properties of 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide?
9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide has a molecular weight of 618.63 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide is sourced from PubChem (CID 90375378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).